ISDA: 36JF

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: A1DLQ

IUPAC Name: 4-[2-(4-fluorophenyl)-6-methyl-pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine

Formal Charge: 0

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: c1ccc(-c2nn3ccccc3c2-c2ccncc2)cc1

InChI: InChI=1S/C18H13N3/c1-2-6-15(7-3-1)18-17(14-9-11-19-12-10-14)16-8-4-5-13-21(16)20-18/h1-13H

InChI Key: YCGONMMRAXRRDD-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C19 H15 F N4

Molecular weight: 318.348

Hydrogen Bond Acceptor: 4

Hydrogen Bond Donor: 1

Rotatable Bonds: 4

Heavy Atoms: 24

Systematic name

Program	Version	Descriptor
ACDLabs	14.52	(4M)-4-[(8R)-2-(4-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine
OpenEye OEToolkits	3.1.0.0	4-[2-(4-fluorophenyl)-6-methyl-pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	Nc1nccc(c1)c1c2ccc(C)cn2nc1c1ccc(F)cc1
InChI	InChI	1.06	InChI=1S/C19H15FN4/c1-12-2-7-16-18(14-8-9-22-17(21)10-14)19(23-24(16)11-12)13-3-5-15(20)6-4-13/h2-11H,1H3,(H2,21,22)
InChIKey	InChI	1.06	CIJOXMQNWHYSCS-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1ccc2n(c1)nc(c3ccc(F)cc3)c2c4ccnc(N)c4
SMILES	CACTVS	3.385	Cc1ccc2n(c1)nc(c3ccc(F)cc3)c2c4ccnc(N)c4
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	Cc1ccc2c(c(nn2c1)c3ccc(cc3)F)c4ccnc(c4)N
SMILES	OpenEye OEToolkits	3.1.0.0	Cc1ccc2c(c(nn2c1)c3ccc(cc3)F)c4ccnc(c4)N