5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-(oxan-4-yl)-1H-indazole-3-carboxamide

C25H31N5O2 — CID 118381641

IUPAC5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-(oxan-4-yl)-1H-indazole-3-carboxamide
SMILESO=C(NC1CCOCC1)c1n[nH]c2ccc(-c3cncc(CN4CCCCCC4)c3)cc12
InChIInChI=1S/C25H31N5O2/c31-25(27-21-7-11-32-12-8-21)24-22-14-19(5-6-23(22)28-29-24)20-13-18(15-26-16-20)17-30-9-3-1-2-4-10-30/h5-6,13-16,21H,1-4,7-12,17H2,(H,27,31)(H,28,29)
InChIKeyUUDOPCPUFMOGIQ-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.91
Rot. Bonds5

About 5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-(oxan-4-yl)-1H-indazole-3-carboxamide

5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-(oxan-4-yl)-1H-indazole-3-carboxamide (PubChem CID 118381641) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-(oxan-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-(oxan-4-yl)-1H-indazole-3-carboxamide
PubChem CID118381641
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-(oxan-4-yl)-1H-indazole-3-carboxamide
SMILESO=C(NC1CCOCC1)c1n[nH]c2ccc(-c3cncc(CN4CCCCCC4)c3)cc12
InChIInChI=1S/C25H31N5O2/c31-25(27-21-7-11-32-12-8-21)24-22-14-19(5-6-23(22)28-29-24)20-13-18(15-26-16-20)17-30-9-3-1-2-4-10-30/h5-6,13-16,21H,1-4,7-12,17H2,(H,27,31)(H,28,29)
InChIKeyUUDOPCPUFMOGIQ-UHFFFAOYSA-N
XLogP3.91
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382016
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(1-prop-2-ynylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118381541
N-cyclohexyl-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382226
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118381779
N-[1-(2-methylpropyl)piperidin-4-yl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381758
N-(1-but-2-ynylpiperidin-4-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381343
N-cyclopropyl-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381128
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide
CID 118382252
5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(1-prop-2-ynylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118382048
5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-2,3-dihydropyridin-3-yl]-1H-indazole-3-carboxamide
CID 123261409
5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[3-(piperidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
CID 89458744
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381235

Frequently Asked Questions

What is the IUPAC name of 5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-(oxan-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-(oxan-4-yl)-1H-indazole-3-carboxamide (CID 118381641) is 5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-(oxan-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-(oxan-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-(oxan-4-yl)-1H-indazole-3-carboxamide is O=C(NC1CCOCC1)c1n[nH]c2ccc(-c3cncc(CN4CCCCCC4)c3)cc12.
What is the InChIKey of 5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-(oxan-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is UUDOPCPUFMOGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c31-25(27-21-7-11-32-12-8-21)24-22-14-19(5-6-23(22)28-29-24)20-13-18(15-26-16-20)17-30-9-3-1-2-4-10-30/h5-6,13-16,21H,1-4,7-12,17H2,(H,27,31)(H,28,29).
What are the key properties of 5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-(oxan-4-yl)-1H-indazole-3-carboxamide?
5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-(oxan-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-(oxan-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).