N-[(4-butyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide

C34H45N7O2 — CID 155556614

About N-[(4-butyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide

N-[(4-butyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide (PubChem CID 155556614) has the molecular formula C34H45N7O2 and a molecular weight of 583.78 g/mol. Its IUPAC name is N-[(4-butyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(4-butyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide
• PubChem CID: 155556614
• Molecular Formula: C34H45N7O2
• Molecular Weight: 583.78 g/mol
• Exact Mass: 583.36
• IUPAC Name: N-[(4-butyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide
• SMILES: CCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cc2c1cnn2C(C)C
• InChI: InChI=1S/C34H45N7O2/c1-7-8-9-25-16-24(6)38-34(43)29(25)20-36-33(42)28-17-27(18-31-30(28)21-37-41(31)23(4)5)26-10-11-32(35-19-26)40-14-12-39(13-15-40)22(2)3/h10-11,16-19,21-23H,7-9,12-15,20H2,1-6H3,(H,36,42)(H,38,43)
• InChIKey: QRXGHSLAMRXUGY-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 99.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.78
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(4-butyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide?

The IUPAC name of N-[(4-butyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide (CID 155556614) is N-[(4-butyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide.

What is the SMILES notation for N-[(4-butyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide?

The canonical SMILES for N-[(4-butyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide is CCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cc2c1cnn2C(C)C.

What is the InChIKey of N-[(4-butyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide?

The InChIKey is QRXGHSLAMRXUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H45N7O2/c1-7-8-9-25-16-24(6)38-34(43)29(25)20-36-33(42)28-17-27(18-31-30(28)21-37-41(31)23(4)5)26-10-11-32(35-19-26)40-14-12-39(13-15-40)22(2)3/h10-11,16-19,21-23H,7-9,12-15,20H2,1-6H3,(H,36,42)(H,38,43).

What are the key properties of N-[(4-butyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide?

N-[(4-butyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide has a molecular weight of 583.78 g/mol, XLogP of 5.48, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-butyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide is sourced from PubChem (CID 155556614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).