2-chloro-4-(1H-indazol-5-ylamino)pyrimidine-5-carbonitrile

C12H7ClN6 — CID 170994334

IUPAC2-chloro-4-(1H-indazol-5-ylamino)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(Cl)nc1Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C12H7ClN6/c13-12-15-5-8(4-14)11(18-12)17-9-1-2-10-7(3-9)6-16-19-10/h1-3,5-6H,(H,16,19)(H,15,17,18)
InChIKeyVFCJWYHRPKFBON-UHFFFAOYSA-N
MW270.68 g/mol
LogP2.62
Rot. Bonds2

About 2-chloro-4-(1H-indazol-5-ylamino)pyrimidine-5-carbonitrile

2-chloro-4-(1H-indazol-5-ylamino)pyrimidine-5-carbonitrile (PubChem CID 170994334) has the molecular formula C12H7ClN6 and a molecular weight of 270.68 g/mol. Its IUPAC name is 2-chloro-4-(1H-indazol-5-ylamino)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-chloro-4-(1H-indazol-5-ylamino)pyrimidine-5-carbonitrile
PubChem CID170994334
Molecular FormulaC12H7ClN6
Molecular Weight270.68 g/mol
Exact Mass270.04
IUPAC Name2-chloro-4-(1H-indazol-5-ylamino)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(Cl)nc1Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C12H7ClN6/c13-12-15-5-8(4-14)11(18-12)17-9-1-2-10-7(3-9)6-16-19-10/h1-3,5-6H,(H,16,19)(H,15,17,18)
InChIKeyVFCJWYHRPKFBON-UHFFFAOYSA-N
XLogP2.62
TPSA90.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.68
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-chloro-4-(1H-indazol-5-ylamino)pyrimidine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloro-5-fluoropyrimidin-4-yl)-1H-indazol-5-amine
CID 22060782
2-(2-ethenyl-1H-indol-6-yl)-4-(1H-indazol-5-ylamino)pyrimidine-5-carbonitrile
CID 167203057
2-chloro-4-(4-methoxyanilino)pyrimidine-5-carbonitrile
CID 146277764
2-chloro-N-(1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 145164677
N-[2-(3,4-difluorophenyl)-5-fluoropyrimidin-4-yl]-1H-indazol-5-amine
CID 122589652
2-chloro-N-(1H-indazol-5-yl)-6,7-dimethylquinazolin-4-amine;N-(1H-indazol-5-yl)-2,6,7-trimethylquinazolin-4-amine
CID 160994357
N-(4-fluorophenyl)-1H-indazol-5-amine
CID 91229030
5-chloro-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine
CID 166380400
2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-7-methylquinazolin-4-amine
CID 10221716
N-(1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 78324014
N-(3-methyl-5-nitro-2-pyridinyl)-1H-indazol-5-amine
CID 133425970
4-[(2-chloro-7H-purin-6-yl)amino]benzene-1,2-dicarbonitrile
CID 107792395

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1H-indazol-5-ylamino)pyrimidine-5-carbonitrile?
The IUPAC name of 2-chloro-4-(1H-indazol-5-ylamino)pyrimidine-5-carbonitrile (CID 170994334) is 2-chloro-4-(1H-indazol-5-ylamino)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-chloro-4-(1H-indazol-5-ylamino)pyrimidine-5-carbonitrile?
The canonical SMILES for 2-chloro-4-(1H-indazol-5-ylamino)pyrimidine-5-carbonitrile is N#Cc1cnc(Cl)nc1Nc1ccc2[nH]ncc2c1.
What is the InChIKey of 2-chloro-4-(1H-indazol-5-ylamino)pyrimidine-5-carbonitrile?
The InChIKey is VFCJWYHRPKFBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN6/c13-12-15-5-8(4-14)11(18-12)17-9-1-2-10-7(3-9)6-16-19-10/h1-3,5-6H,(H,16,19)(H,15,17,18).
What are the key properties of 2-chloro-4-(1H-indazol-5-ylamino)pyrimidine-5-carbonitrile?
2-chloro-4-(1H-indazol-5-ylamino)pyrimidine-5-carbonitrile has a molecular weight of 270.68 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1H-indazol-5-ylamino)pyrimidine-5-carbonitrile is sourced from PubChem (CID 170994334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).