2-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-dihydroindazole-4-carboxamide

C28H35N7O2 — CID 67467479

About 2-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-dihydroindazole-4-carboxamide

2-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-dihydroindazole-4-carboxamide (PubChem CID 67467479) has the molecular formula C28H35N7O2 and a molecular weight of 501.64 g/mol. Its IUPAC name is 2-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-dihydroindazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-dihydroindazole-4-carboxamide
• PubChem CID: 67467479
• Molecular Formula: C28H35N7O2
• Molecular Weight: 501.64 g/mol
• Exact Mass: 501.29
• IUPAC Name: 2-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-dihydroindazole-4-carboxamide
• SMILES: CCCc1cc(C)[nH]c(=O)c1CN1Cc2c(cc(-c3ccc(N4CCN(C)CC4)nc3)cc2C(N)=O)N1
• InChI: InChI=1S/C28H35N7O2/c1-4-5-19-12-18(2)31-28(37)23(19)16-35-17-24-22(27(29)36)13-21(14-25(24)32-35)20-6-7-26(30-15-20)34-10-8-33(3)9-11-34/h6-7,12-15,32H,4-5,8-11,16-17H2,1-3H3,(H2,29,36)(H,31,37)
• InChIKey: KHYUOVKKAINDAY-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 110.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.64
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-dihydroindazole-4-carboxamide?

The IUPAC name of 2-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-dihydroindazole-4-carboxamide (CID 67467479) is 2-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-dihydroindazole-4-carboxamide.

What is the SMILES notation for 2-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-dihydroindazole-4-carboxamide?

The canonical SMILES for 2-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-dihydroindazole-4-carboxamide is CCCc1cc(C)[nH]c(=O)c1CN1Cc2c(cc(-c3ccc(N4CCN(C)CC4)nc3)cc2C(N)=O)N1.

What is the InChIKey of 2-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-dihydroindazole-4-carboxamide?

The InChIKey is KHYUOVKKAINDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7O2/c1-4-5-19-12-18(2)31-28(37)23(19)16-35-17-24-22(27(29)36)13-21(14-25(24)32-35)20-6-7-26(30-15-20)34-10-8-33(3)9-11-34/h6-7,12-15,32H,4-5,8-11,16-17H2,1-3H3,(H2,29,36)(H,31,37).

What are the key properties of 2-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-dihydroindazole-4-carboxamide?

2-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-dihydroindazole-4-carboxamide has a molecular weight of 501.64 g/mol, XLogP of 2.89, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-dihydroindazole-4-carboxamide is sourced from PubChem (CID 67467479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).