5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(5-benzyl-3-pyridinyl)-1H-indazole-3-carboxamide

C29H26N6O — CID 89451203

IUPAC5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(5-benzyl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1cncc(Cc2ccccc2)c1)c1n[nH]c2ccc(-c3cncc(CN4CCC4)c3)cc12
InChIInChI=1S/C29H26N6O/c36-29(32-25-13-21(15-31-18-25)11-20-5-2-1-3-6-20)28-26-14-23(7-8-27(26)33-34-28)24-12-22(16-30-17-24)19-35-9-4-10-35/h1-3,5-8,12-18H,4,9-11,19H2,(H,32,36)(H,33,34)
InChIKeyPXSHQXPNTAZROF-UHFFFAOYSA-N
MW474.57 g/mol
LogP5.07
Rot. Bonds7

About 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(5-benzyl-3-pyridinyl)-1H-indazole-3-carboxamide

5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(5-benzyl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 89451203) has the molecular formula C29H26N6O and a molecular weight of 474.57 g/mol. Its IUPAC name is 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(5-benzyl-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(5-benzyl-3-pyridinyl)-1H-indazole-3-carboxamide
PubChem CID89451203
Molecular FormulaC29H26N6O
Molecular Weight474.57 g/mol
Exact Mass474.22
IUPAC Name5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(5-benzyl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1cncc(Cc2ccccc2)c1)c1n[nH]c2ccc(-c3cncc(CN4CCC4)c3)cc12
InChIInChI=1S/C29H26N6O/c36-29(32-25-13-21(15-31-18-25)11-20-5-2-1-3-6-20)28-26-14-23(7-8-27(26)33-34-28)24-12-22(16-30-17-24)19-35-9-4-10-35/h1-3,5-8,12-18H,4,9-11,19H2,(H,32,36)(H,33,34)
InChIKeyPXSHQXPNTAZROF-UHFFFAOYSA-N
XLogP5.07
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.57
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-benzyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89444849
N-(5-benzyl-3-pyridinyl)-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381917
N-(3-benzylphenyl)-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(3-benzylphenyl)-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(3-benzylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 159535559
5-(5-benzyl-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide
CID 89450774
5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
CID 89458778
5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide
CID 118382272
ethane;N-(6-phenyl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 144555502
5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[3-(piperidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
CID 89458744
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[2-(azetidin-1-yl)-4-pyridinyl]-1H-indazole-3-carboxamide
CID 118382339
5-[5-[[3,3-bis(hydroxymethyl)azetidin-1-yl]methyl]-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide
CID 118381720
N-[2-(azetidin-1-yl)-4-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381971
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]-1H-indazole-3-carboxamide
CID 118382129

Frequently Asked Questions

What is the IUPAC name of 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(5-benzyl-3-pyridinyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(5-benzyl-3-pyridinyl)-1H-indazole-3-carboxamide (CID 89451203) is 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(5-benzyl-3-pyridinyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(5-benzyl-3-pyridinyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(5-benzyl-3-pyridinyl)-1H-indazole-3-carboxamide is O=C(Nc1cncc(Cc2ccccc2)c1)c1n[nH]c2ccc(-c3cncc(CN4CCC4)c3)cc12.
What is the InChIKey of 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(5-benzyl-3-pyridinyl)-1H-indazole-3-carboxamide?
The InChIKey is PXSHQXPNTAZROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O/c36-29(32-25-13-21(15-31-18-25)11-20-5-2-1-3-6-20)28-26-14-23(7-8-27(26)33-34-28)24-12-22(16-30-17-24)19-35-9-4-10-35/h1-3,5-8,12-18H,4,9-11,19H2,(H,32,36)(H,33,34).
What are the key properties of 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(5-benzyl-3-pyridinyl)-1H-indazole-3-carboxamide?
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(5-benzyl-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 474.57 g/mol, XLogP of 5.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(5-benzyl-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 89451203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).