5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-(3-methyl-2-pyridinyl)-1H-indazole-3-carboxamide

C26H28N6O — CID 118390930

IUPAC5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-(3-methyl-2-pyridinyl)-1H-indazole-3-carboxamide
SMILESCc1cccnc1NC(=O)c1n[nH]c2ccc(-c3cncc(CN4CCCCCC4)c3)cc12
InChIInChI=1S/C26H28N6O/c1-18-7-6-10-28-25(18)29-26(33)24-22-14-20(8-9-23(22)30-31-24)21-13-19(15-27-16-21)17-32-11-4-2-3-5-12-32/h6-10,13-16H,2-5,11-12,17H2,1H3,(H,30,31)(H,28,29,33)
InChIKeyBABAYZOPNLVXSM-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.96
Rot. Bonds5

About 5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-(3-methyl-2-pyridinyl)-1H-indazole-3-carboxamide

5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-(3-methyl-2-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 118390930) has the molecular formula C26H28N6O and a molecular weight of 440.55 g/mol. Its IUPAC name is 5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-(3-methyl-2-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-(3-methyl-2-pyridinyl)-1H-indazole-3-carboxamide
PubChem CID118390930
Molecular FormulaC26H28N6O
Molecular Weight440.55 g/mol
Exact Mass440.23
IUPAC Name5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-(3-methyl-2-pyridinyl)-1H-indazole-3-carboxamide
SMILESCc1cccnc1NC(=O)c1n[nH]c2ccc(-c3cncc(CN4CCCCCC4)c3)cc12
InChIInChI=1S/C26H28N6O/c1-18-7-6-10-28-25(18)29-26(33)24-22-14-20(8-9-23(22)30-31-24)21-13-19(15-27-16-21)17-32-11-4-2-3-5-12-32/h6-10,13-16H,2-5,11-12,17H2,1H3,(H,30,31)(H,28,29,33)
InChIKeyBABAYZOPNLVXSM-UHFFFAOYSA-N
XLogP4.96
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2,3-difluoro-5-(piperidin-1-ylmethyl)phenyl]-N-(3-methyl-2-pyridinyl)-1H-indazole-3-carboxamide
CID 118390932
N-[6-(azetidin-1-yl)-5-methyl-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450868
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[(E)-prop-1-enyl]-1H-indazole-3-carboxamide
CID 166774184
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]-1H-indazole-3-carboxamide
CID 118382129
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381235
N-[2-(azetidin-1-yl)-4-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381971
N-tert-butyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381544
N-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382350
ethane;N-(6-phenyl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 144555502
N-(5-benzyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89444849
5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
CID 89458778
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;formaldehyde;2-methylpropane
CID 144555496

Frequently Asked Questions

What is the IUPAC name of 5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-(3-methyl-2-pyridinyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-(3-methyl-2-pyridinyl)-1H-indazole-3-carboxamide (CID 118390930) is 5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-(3-methyl-2-pyridinyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-(3-methyl-2-pyridinyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-(3-methyl-2-pyridinyl)-1H-indazole-3-carboxamide is Cc1cccnc1NC(=O)c1n[nH]c2ccc(-c3cncc(CN4CCCCCC4)c3)cc12.
What is the InChIKey of 5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-(3-methyl-2-pyridinyl)-1H-indazole-3-carboxamide?
The InChIKey is BABAYZOPNLVXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O/c1-18-7-6-10-28-25(18)29-26(33)24-22-14-20(8-9-23(22)30-31-24)21-13-19(15-27-16-21)17-32-11-4-2-3-5-12-32/h6-10,13-16H,2-5,11-12,17H2,1H3,(H,30,31)(H,28,29,33).
What are the key properties of 5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-(3-methyl-2-pyridinyl)-1H-indazole-3-carboxamide?
5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-(3-methyl-2-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 440.55 g/mol, XLogP of 4.96, 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-(3-methyl-2-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 118390930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).