N-[(2R)-1-[(1S,4S)-5-[5-(4-ethylpiperazin-1-yl)pyridine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide

C32H41N7O3 — CID 44624971

About N-[(2R)-1-[(1S,4S)-5-[5-(4-ethylpiperazin-1-yl)pyridine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide

N-[(2R)-1-[(1S,4S)-5-[5-(4-ethylpiperazin-1-yl)pyridine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide (PubChem CID 44624971) has the molecular formula C32H41N7O3 and a molecular weight of 571.73 g/mol. Its IUPAC name is N-[(2R)-1-[(1S,4S)-5-[5-(4-ethylpiperazin-1-yl)pyridine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-1-[(1S,4S)-5-[5-(4-ethylpiperazin-1-yl)pyridine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
• PubChem CID: 44624971
• Molecular Formula: C32H41N7O3
• Molecular Weight: 571.73 g/mol
• Exact Mass: 571.33
• IUPAC Name: N-[(2R)-1-[(1S,4S)-5-[5-(4-ethylpiperazin-1-yl)pyridine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
• SMILES: CCN1CCN(c2ccc(C(=O)N3C[C@@H]4C[C@H]3CN4C(=O)[C@H](NC(=O)c3cc4ccccc4[nH]3)C(C)(C)C)nc2)CC1
• InChI: InChI=1S/C32H41N7O3/c1-5-36-12-14-37(15-13-36)22-10-11-26(33-18-22)30(41)38-19-24-17-23(38)20-39(24)31(42)28(32(2,3)4)35-29(40)27-16-21-8-6-7-9-25(21)34-27/h6-11,16,18,23-24,28,34H,5,12-15,17,19-20H2,1-4H3,(H,35,40)/t23-,24-,28-/m0/s1
• InChIKey: YGFGOMDLCNUWPU-QONNDPFASA-N
• XLogP: 2.97
• TPSA: 104.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.73
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(1S,4S)-5-[5-(4-ethylpiperazin-1-yl)pyridine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide?

The IUPAC name of N-[(2R)-1-[(1S,4S)-5-[5-(4-ethylpiperazin-1-yl)pyridine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide (CID 44624971) is N-[(2R)-1-[(1S,4S)-5-[5-(4-ethylpiperazin-1-yl)pyridine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide.

What is the SMILES notation for N-[(2R)-1-[(1S,4S)-5-[5-(4-ethylpiperazin-1-yl)pyridine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide?

The canonical SMILES for N-[(2R)-1-[(1S,4S)-5-[5-(4-ethylpiperazin-1-yl)pyridine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide is CCN1CCN(c2ccc(C(=O)N3C[C@@H]4C[C@H]3CN4C(=O)[C@H](NC(=O)c3cc4ccccc4[nH]3)C(C)(C)C)nc2)CC1.

What is the InChIKey of N-[(2R)-1-[(1S,4S)-5-[5-(4-ethylpiperazin-1-yl)pyridine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide?

The InChIKey is YGFGOMDLCNUWPU-QONNDPFASA-N. The full InChI is InChI=1S/C32H41N7O3/c1-5-36-12-14-37(15-13-36)22-10-11-26(33-18-22)30(41)38-19-24-17-23(38)20-39(24)31(42)28(32(2,3)4)35-29(40)27-16-21-8-6-7-9-25(21)34-27/h6-11,16,18,23-24,28,34H,5,12-15,17,19-20H2,1-4H3,(H,35,40)/t23-,24-,28-/m0/s1.

What are the key properties of N-[(2R)-1-[(1S,4S)-5-[5-(4-ethylpiperazin-1-yl)pyridine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide?

N-[(2R)-1-[(1S,4S)-5-[5-(4-ethylpiperazin-1-yl)pyridine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 571.73 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-[(1S,4S)-5-[5-(4-ethylpiperazin-1-yl)pyridine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 44624971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).