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

C33H43N7O2 — CID 86278384

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

N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[4-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide (PubChem CID 86278384) has the molecular formula C33H43N7O2 and a molecular weight of 569.75 g/mol. Its IUPAC name is N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[4-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[4-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide
• PubChem CID: 86278384
• Molecular Formula: C33H43N7O2
• Molecular Weight: 569.75 g/mol
• Exact Mass: 569.35
• IUPAC Name: N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[4-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide
• SMILES: CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2cnccc2N2CCN(C(C)C)CC2)cc2c1cnn2C(C)C
• InChI: InChI=1S/C33H43N7O2/c1-7-8-24-15-23(6)37-33(42)28(24)19-35-32(41)26-16-25(17-31-29(26)20-36-40(31)22(4)5)27-18-34-10-9-30(27)39-13-11-38(12-14-39)21(2)3/h9-10,15-18,20-22H,7-8,11-14,19H2,1-6H3,(H,35,41)(H,37,42)
• InChIKey: XFTIKMPIEPCZFU-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 99.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.75
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[4-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide (CID 86278384) is N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[4-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide.

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

The canonical SMILES for N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[4-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide is CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2cnccc2N2CCN(C(C)C)CC2)cc2c1cnn2C(C)C.

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

The InChIKey is XFTIKMPIEPCZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43N7O2/c1-7-8-24-15-23(6)37-33(42)28(24)19-35-32(41)26-16-25(17-31-29(26)20-36-40(31)22(4)5)27-18-34-10-9-30(27)39-13-11-38(12-14-39)21(2)3/h9-10,15-18,20-22H,7-8,11-14,19H2,1-6H3,(H,35,41)(H,37,42).

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

N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[4-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide has a molecular weight of 569.75 g/mol, XLogP of 5.09, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[4-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide is sourced from PubChem (CID 86278384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).