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

C19H12ClN5 — CID 166551405

IUPAC3-chloro-4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile
SMILESN#Cc1ccc(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)c(Cl)c1
InChIInChI=1S/C19H12ClN5/c20-16-9-12(11-21)1-3-18(16)23-14-2-4-17-15(10-14)19(25-24-17)13-5-7-22-8-6-13/h1-10,23H,(H,24,25)
InChIKeyNJYZVVCACZVMRL-UHFFFAOYSA-N
MW345.79 g/mol
LogP4.89
Rot. Bonds3

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

3-chloro-4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile (PubChem CID 166551405) has the molecular formula C19H12ClN5 and a molecular weight of 345.79 g/mol. Its IUPAC name is 3-chloro-4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile.

Molecular Properties

Compound Name3-chloro-4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile
PubChem CID166551405
Molecular FormulaC19H12ClN5
Molecular Weight345.79 g/mol
Exact Mass345.08
IUPAC Name3-chloro-4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile
SMILESN#Cc1ccc(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)c(Cl)c1
InChIInChI=1S/C19H12ClN5/c20-16-9-12(11-21)1-3-18(16)23-14-2-4-17-15(10-14)19(25-24-17)13-5-7-22-8-6-13/h1-10,23H,(H,24,25)
InChIKeyNJYZVVCACZVMRL-UHFFFAOYSA-N
XLogP4.89
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Substituted 6-aminoquinoline-3-carbonitrile, 7
CID 44143345
N-(5,6-dichloro-3-pyridinyl)-1-(1H-indazol-5-yl)methanimine
CID 77844771
8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-{[(1-methyl-1H-pyrazol-4-yl)methyl]amino}quinoline-3-carbonitrile
CID 17759676
3-[4-[6-chloranyl-5-[[(3R)-pyrrolidin-3-yl]amino]-1H-indazol-3-yl]pyrazol-1-yl]benzenecarbonitrile
CID 156613395
2-[[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]amino]benzonitrile
CID 168279642
N-(1-(3-chlorobenzyl)piperidin-4-yl)-1H-indazol-5-amine
CID 21098479
6-((1H-pyrazol-3-yl)methylamino)-4-(3-chloro-4-fluorophenylamino)quinoline-3-carbonitrile
CID 44420104
4-(6-chloro-1H-indol-5-ylamino)-5-styrylnicotinonitrile
CID 45484979
4-(7-chloro-4-methyl-1H-indol-5-ylamino)-5-styrylnicotinonitrile
CID 45484989
N-[(3-chloro-5-fluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine
CID 156734048
3-fluoro-5-[[[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]amino]methyl]benzonitrile
CID 156734067
N-[(3-fluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine
CID 156734092

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile?
The IUPAC name of 3-chloro-4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile (CID 166551405) is 3-chloro-4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile.
What is the SMILES notation for 3-chloro-4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile?
The canonical SMILES for 3-chloro-4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile is N#Cc1ccc(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile?
The InChIKey is NJYZVVCACZVMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN5/c20-16-9-12(11-21)1-3-18(16)23-14-2-4-17-15(10-14)19(25-24-17)13-5-7-22-8-6-13/h1-10,23H,(H,24,25).
What are the key properties of 3-chloro-4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile?
3-chloro-4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile has a molecular weight of 345.79 g/mol, XLogP of 4.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile is sourced from PubChem (CID 166551405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).