4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile

C19H13N5 — CID 166551342

IUPAC4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile
SMILESN#Cc1ccc(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)cc1
InChIInChI=1S/C19H13N5/c20-12-13-1-3-15(4-2-13)22-16-5-6-18-17(11-16)19(24-23-18)14-7-9-21-10-8-14/h1-11,22H,(H,23,24)
InChIKeyMPUAPPQVLLLHKH-UHFFFAOYSA-N
MW311.35 g/mol
LogP4.24
Rot. Bonds3

About 4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile

4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile (PubChem CID 166551342) has the molecular formula C19H13N5 and a molecular weight of 311.35 g/mol. Its IUPAC name is 4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile.

Molecular Properties

Compound Name4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile
PubChem CID166551342
Molecular FormulaC19H13N5
Molecular Weight311.35 g/mol
Exact Mass311.12
IUPAC Name4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile
SMILESN#Cc1ccc(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)cc1
InChIInChI=1S/C19H13N5/c20-12-13-1-3-15(4-2-13)22-16-5-6-18-17(11-16)19(24-23-18)14-7-9-21-10-8-14/h1-11,22H,(H,23,24)
InChIKeyMPUAPPQVLLLHKH-UHFFFAOYSA-N
XLogP4.24
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-(3-pyridin-4-yl-1H-indazol-5-yl)pyridine-4-carboxamide
CID 155481934
4-pyridin-4-ylbenzonitrile
CID 4184629
N-[3-(4-fluorophenyl)-1H-indazol-5-yl]pyridine-4-carboxamide
CID 22479938
4-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylbenzamide
CID 155481755
3-(4-fluorophenyl)-N-methyl-1H-indazol-5-amine
CID 71190825
4-[5-(3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzonitrile
CID 121378188
5-cyano-N-[3-(4-methoxyphenyl)-1H-indazol-5-yl]-3-methylpyridine-2-carboxamide
CID 155481975
2-methyl-2-[4-[8-[3-(pyridin-4-ylamino)phenyl]-3H-pyrazolo[3,4-c]quinolin-1-yl]phenyl]propanenitrile
CID 58412414
ethane;4-pyridin-4-ylbenzonitrile
CID 142098064
methyl 5-[(4-cyanobenzoyl)amino]-1H-indazole-3-carboxylate
CID 35372978
N-(4-cyanophenyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 89459269
5-cyano-3-methyl-N-[3-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]pyridine-2-carboxamide
CID 155482063

Frequently Asked Questions

What is the IUPAC name of 4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile?
The IUPAC name of 4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile (CID 166551342) is 4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile.
What is the SMILES notation for 4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile?
The canonical SMILES for 4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile is N#Cc1ccc(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)cc1.
What is the InChIKey of 4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile?
The InChIKey is MPUAPPQVLLLHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5/c20-12-13-1-3-15(4-2-13)22-16-5-6-18-17(11-16)19(24-23-18)14-7-9-21-10-8-14/h1-11,22H,(H,23,24).
What are the key properties of 4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile?
4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile has a molecular weight of 311.35 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile is sourced from PubChem (CID 166551342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).