ISDA: 7HZL

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: A1BQ0

IUPAC Name: N-cyclopropyl-5-fluoro-1-methyl-1H-indazole-3-carboxamide

Formal Charge: 0

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: O=C(NC1CC1)c1n[nH]c2ccccc12

InChI: InChI=1S/C11H11N3O/c15-11(12-7-5-6-7)10-8-3-1-2-4-9(8)13-14-10/h1-4,7H,5-6H2,(H,12,15)(H,13,14)

InChI Key: BWDCVCREASIZKJ-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C12 H12 F N3 O

Molecular weight: 233.242

Hydrogen Bond Acceptor: 3

Hydrogen Bond Donor: 1

Rotatable Bonds: 3

Heavy Atoms: 17

Systematic name

Program	Version	Descriptor
ACDLabs	14.52	N-cyclopropyl-5-fluoro-1-methyl-1H-indazole-3-carboxamide
OpenEye OEToolkits	3.1.0.0	~{N}-cyclopropyl-5-fluoranyl-1-methyl-indazole-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	Fc1cc2c(cc1)n(C)nc2C(=O)NC1CC1
InChI	InChI	1.06	InChI=1S/C12H12FN3O/c1-16-10-5-2-7(13)6-9(10)11(15-16)12(17)14-8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H,14,17)
InChIKey	InChI	1.06	LJCPETRSDJEEFS-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1nc(C(=O)NC2CC2)c3cc(F)ccc13
SMILES	CACTVS	3.385	Cn1nc(C(=O)NC2CC2)c3cc(F)ccc13
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	Cn1c2ccc(cc2c(n1)C(=O)NC3CC3)F
SMILES	OpenEye OEToolkits	3.1.0.0	Cn1c2ccc(cc2c(n1)C(=O)NC3CC3)F

Chemical Database Mapping

Database	Reference ID
PubChem	166265172