N-[(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1-propan-2-ylindazole-4-carboxamide

C32H40N6O2 — CID 161096713

About N-[(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1-propan-2-ylindazole-4-carboxamide

N-[(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1-propan-2-ylindazole-4-carboxamide (PubChem CID 161096713) has the molecular formula C32H40N6O2 and a molecular weight of 540.71 g/mol. Its IUPAC name is N-[(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1-propan-2-ylindazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1-propan-2-ylindazole-4-carboxamide
• PubChem CID: 161096713
• Molecular Formula: C32H40N6O2
• Molecular Weight: 540.71 g/mol
• Exact Mass: 540.32
• IUPAC Name: N-[(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1-propan-2-ylindazole-4-carboxamide
• SMILES: CCCC1=C(CNC(=O)c2cc(-c3ccnc(N4CCN(C)CC4)c3)cc3c2cnn3C(C)C)C(=O)CC(C)=C1
• InChI: InChI=1S/C32H40N6O2/c1-6-7-24-14-22(4)15-30(39)27(24)19-34-32(40)26-16-25(17-29-28(26)20-35-38(29)21(2)3)23-8-9-33-31(18-23)37-12-10-36(5)11-13-37/h8-9,14,16-18,20-21H,6-7,10-13,15,19H2,1-5H3,(H,34,40)
• InChIKey: UHWWWLKDPDFHEJ-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 83.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.71
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1-propan-2-ylindazole-4-carboxamide?

The IUPAC name of N-[(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1-propan-2-ylindazole-4-carboxamide (CID 161096713) is N-[(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1-propan-2-ylindazole-4-carboxamide.

What is the SMILES notation for N-[(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1-propan-2-ylindazole-4-carboxamide?

The canonical SMILES for N-[(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1-propan-2-ylindazole-4-carboxamide is CCCC1=C(CNC(=O)c2cc(-c3ccnc(N4CCN(C)CC4)c3)cc3c2cnn3C(C)C)C(=O)CC(C)=C1.

What is the InChIKey of N-[(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1-propan-2-ylindazole-4-carboxamide?

The InChIKey is UHWWWLKDPDFHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N6O2/c1-6-7-24-14-22(4)15-30(39)27(24)19-34-32(40)26-16-25(17-29-28(26)20-35-38(29)21(2)3)23-8-9-33-31(18-23)37-12-10-36(5)11-13-37/h8-9,14,16-18,20-21H,6-7,10-13,15,19H2,1-5H3,(H,34,40).

What are the key properties of N-[(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1-propan-2-ylindazole-4-carboxamide?

N-[(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1-propan-2-ylindazole-4-carboxamide has a molecular weight of 540.71 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1-propan-2-ylindazole-4-carboxamide is sourced from PubChem (CID 161096713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).