5-[1-[5-(5-benzyl-3-pyridinyl)-1H-indazol-3-yl]ethenylamino]pyridine-2-carbonitrile

C27H20N6 — CID 142333708

IUPAC5-[1-[5-(5-benzyl-3-pyridinyl)-1H-indazol-3-yl]ethenylamino]pyridine-2-carbonitrile
SMILESC=C(Nc1ccc(C#N)nc1)c1n[nH]c2ccc(-c3cncc(Cc4ccccc4)c3)cc12
InChIInChI=1S/C27H20N6/c1-18(31-24-9-8-23(14-28)30-17-24)27-25-13-21(7-10-26(25)32-33-27)22-12-20(15-29-16-22)11-19-5-3-2-4-6-19/h2-10,12-13,15-17,31H,1,11H2,(H,32,33)
InChIKeyWLLMPTGKRDBMEB-UHFFFAOYSA-N
MW428.50 g/mol
LogP5.57
Rot. Bonds6

About 5-[1-[5-(5-benzyl-3-pyridinyl)-1H-indazol-3-yl]ethenylamino]pyridine-2-carbonitrile

5-[1-[5-(5-benzyl-3-pyridinyl)-1H-indazol-3-yl]ethenylamino]pyridine-2-carbonitrile (PubChem CID 142333708) has the molecular formula C27H20N6 and a molecular weight of 428.50 g/mol. Its IUPAC name is 5-[1-[5-(5-benzyl-3-pyridinyl)-1H-indazol-3-yl]ethenylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[1-[5-(5-benzyl-3-pyridinyl)-1H-indazol-3-yl]ethenylamino]pyridine-2-carbonitrile
PubChem CID142333708
Molecular FormulaC27H20N6
Molecular Weight428.50 g/mol
Exact Mass428.17
IUPAC Name5-[1-[5-(5-benzyl-3-pyridinyl)-1H-indazol-3-yl]ethenylamino]pyridine-2-carbonitrile
SMILESC=C(Nc1ccc(C#N)nc1)c1n[nH]c2ccc(-c3cncc(Cc4ccccc4)c3)cc12
InChIInChI=1S/C27H20N6/c1-18(31-24-9-8-23(14-28)30-17-24)27-25-13-21(7-10-26(25)32-33-27)22-12-20(15-29-16-22)11-19-5-3-2-4-6-19/h2-10,12-13,15-17,31H,1,11H2,(H,32,33)
InChIKeyWLLMPTGKRDBMEB-UHFFFAOYSA-N
XLogP5.57
TPSA90.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.50
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[5-(5-benzyl-3-pyridinyl)-1H-indazol-3-yl]ethenyl]pyridin-3-amine
CID 134460440
N-(6-cyano-3-pyridinyl)-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450447
6-phenyl-N-[1-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine
CID 134460432
5-(5-benzyl-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide
CID 89450774
N-(6-cyano-3-pyridinyl)-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450886
N-(6-carbamoyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-cyano-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;methane
CID 160709512
6-(1-aminoethenyl)-N-[1-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine
CID 134460572
N-(6-cyano-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;ethane
CID 144555192
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(5-benzyl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89451203
6-(3,3-difluoroazetidin-1-yl)-N-[1-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine
CID 144929264
N-(5-benzyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89444849
2-N,2-N-dimethyl-5-N-[1-(5-pyridin-3-yl-1H-indazol-3-yl)ethenyl]pyridine-2,5-diamine
CID 142333796

Frequently Asked Questions

What is the IUPAC name of 5-[1-[5-(5-benzyl-3-pyridinyl)-1H-indazol-3-yl]ethenylamino]pyridine-2-carbonitrile?
The IUPAC name of 5-[1-[5-(5-benzyl-3-pyridinyl)-1H-indazol-3-yl]ethenylamino]pyridine-2-carbonitrile (CID 142333708) is 5-[1-[5-(5-benzyl-3-pyridinyl)-1H-indazol-3-yl]ethenylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[1-[5-(5-benzyl-3-pyridinyl)-1H-indazol-3-yl]ethenylamino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[1-[5-(5-benzyl-3-pyridinyl)-1H-indazol-3-yl]ethenylamino]pyridine-2-carbonitrile is C=C(Nc1ccc(C#N)nc1)c1n[nH]c2ccc(-c3cncc(Cc4ccccc4)c3)cc12.
What is the InChIKey of 5-[1-[5-(5-benzyl-3-pyridinyl)-1H-indazol-3-yl]ethenylamino]pyridine-2-carbonitrile?
The InChIKey is WLLMPTGKRDBMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N6/c1-18(31-24-9-8-23(14-28)30-17-24)27-25-13-21(7-10-26(25)32-33-27)22-12-20(15-29-16-22)11-19-5-3-2-4-6-19/h2-10,12-13,15-17,31H,1,11H2,(H,32,33).
What are the key properties of 5-[1-[5-(5-benzyl-3-pyridinyl)-1H-indazol-3-yl]ethenylamino]pyridine-2-carbonitrile?
5-[1-[5-(5-benzyl-3-pyridinyl)-1H-indazol-3-yl]ethenylamino]pyridine-2-carbonitrile has a molecular weight of 428.50 g/mol, XLogP of 5.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[5-(5-benzyl-3-pyridinyl)-1H-indazol-3-yl]ethenylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 142333708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).