6-[6-[4-(2-aminoethyl)piperazin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-yl-2,3-dihydroindazole-4-carboxamide

C31H42N8O2 — CID 163460314

About 6-[6-[4-(2-aminoethyl)piperazin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-yl-2,3-dihydroindazole-4-carboxamide

6-[6-[4-(2-aminoethyl)piperazin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-yl-2,3-dihydroindazole-4-carboxamide (PubChem CID 163460314) has the molecular formula C31H42N8O2 and a molecular weight of 558.73 g/mol. Its IUPAC name is 6-[6-[4-(2-aminoethyl)piperazin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-yl-2,3-dihydroindazole-4-carboxamide.

Molecular Properties

• Compound Name: 6-[6-[4-(2-aminoethyl)piperazin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-yl-2,3-dihydroindazole-4-carboxamide
• PubChem CID: 163460314
• Molecular Formula: C31H42N8O2
• Molecular Weight: 558.73 g/mol
• Exact Mass: 558.34
• IUPAC Name: 6-[6-[4-(2-aminoethyl)piperazin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-yl-2,3-dihydroindazole-4-carboxamide
• SMILES: Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(CCN)CC4)nc3)cc3c2C(C)NN3C(C)C)c(=O)[nH]1
• InChI: InChI=1S/C31H42N8O2/c1-19(2)39-27-16-24(23-6-7-28(33-17-23)38-12-10-37(9-8-32)11-13-38)15-25(29(27)22(5)36-39)30(40)34-18-26-20(3)14-21(4)35-31(26)41/h6-7,14-17,19,22,36H,8-13,18,32H2,1-5H3,(H,34,40)(H,35,41)
• InChIKey: BNZZZOCJSQJHOG-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 122.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	558.73
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[6-[4-(2-aminoethyl)piperazin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-yl-2,3-dihydroindazole-4-carboxamide?

The IUPAC name of 6-[6-[4-(2-aminoethyl)piperazin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-yl-2,3-dihydroindazole-4-carboxamide (CID 163460314) is 6-[6-[4-(2-aminoethyl)piperazin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-yl-2,3-dihydroindazole-4-carboxamide.

What is the SMILES notation for 6-[6-[4-(2-aminoethyl)piperazin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-yl-2,3-dihydroindazole-4-carboxamide?

The canonical SMILES for 6-[6-[4-(2-aminoethyl)piperazin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-yl-2,3-dihydroindazole-4-carboxamide is Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(CCN)CC4)nc3)cc3c2C(C)NN3C(C)C)c(=O)[nH]1.

What is the InChIKey of 6-[6-[4-(2-aminoethyl)piperazin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-yl-2,3-dihydroindazole-4-carboxamide?

The InChIKey is BNZZZOCJSQJHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42N8O2/c1-19(2)39-27-16-24(23-6-7-28(33-17-23)38-12-10-37(9-8-32)11-13-38)15-25(29(27)22(5)36-39)30(40)34-18-26-20(3)14-21(4)35-31(26)41/h6-7,14-17,19,22,36H,8-13,18,32H2,1-5H3,(H,34,40)(H,35,41).

What are the key properties of 6-[6-[4-(2-aminoethyl)piperazin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-yl-2,3-dihydroindazole-4-carboxamide?

6-[6-[4-(2-aminoethyl)piperazin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-yl-2,3-dihydroindazole-4-carboxamide has a molecular weight of 558.73 g/mol, XLogP of 2.86, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-[4-(2-aminoethyl)piperazin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-yl-2,3-dihydroindazole-4-carboxamide is sourced from PubChem (CID 163460314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).