(3S)-N-cyclohexyl-8-methoxy-3-methyl-1-oxo-2-propan-2-yl-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide

C27H34N4O3 — CID 92734790

About (3S)-N-cyclohexyl-8-methoxy-3-methyl-1-oxo-2-propan-2-yl-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide

(3S)-N-cyclohexyl-8-methoxy-3-methyl-1-oxo-2-propan-2-yl-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 92734790) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is (3S)-N-cyclohexyl-8-methoxy-3-methyl-1-oxo-2-propan-2-yl-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-cyclohexyl-8-methoxy-3-methyl-1-oxo-2-propan-2-yl-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide
• PubChem CID: 92734790
• Molecular Formula: C27H34N4O3
• Molecular Weight: 462.59 g/mol
• Exact Mass: 462.26
• IUPAC Name: (3S)-N-cyclohexyl-8-methoxy-3-methyl-1-oxo-2-propan-2-yl-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide
• SMILES: COc1ccc2c(c1)c(-n1cccc1)c1n2C[C@@](C)(C(=O)NC2CCCCC2)N(C(C)C)C1=O
• InChI: InChI=1S/C27H34N4O3/c1-18(2)31-25(32)24-23(29-14-8-9-15-29)21-16-20(34-4)12-13-22(21)30(24)17-27(31,3)26(33)28-19-10-6-5-7-11-19/h8-9,12-16,18-19H,5-7,10-11,17H2,1-4H3,(H,28,33)/t27-/m0/s1
• InChIKey: OLJAIHGCGRCXOU-MHZLTWQESA-N
• XLogP: 4.51
• TPSA: 68.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.59
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclohexyl-8-methoxy-3-methyl-1-oxo-2-propan-2-yl-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide?

The IUPAC name of (3S)-N-cyclohexyl-8-methoxy-3-methyl-1-oxo-2-propan-2-yl-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 92734790) is (3S)-N-cyclohexyl-8-methoxy-3-methyl-1-oxo-2-propan-2-yl-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide.

What is the SMILES notation for (3S)-N-cyclohexyl-8-methoxy-3-methyl-1-oxo-2-propan-2-yl-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide?

The canonical SMILES for (3S)-N-cyclohexyl-8-methoxy-3-methyl-1-oxo-2-propan-2-yl-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide is COc1ccc2c(c1)c(-n1cccc1)c1n2C[C@@](C)(C(=O)NC2CCCCC2)N(C(C)C)C1=O.

What is the InChIKey of (3S)-N-cyclohexyl-8-methoxy-3-methyl-1-oxo-2-propan-2-yl-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide?

The InChIKey is OLJAIHGCGRCXOU-MHZLTWQESA-N. The full InChI is InChI=1S/C27H34N4O3/c1-18(2)31-25(32)24-23(29-14-8-9-15-29)21-16-20(34-4)12-13-22(21)30(24)17-27(31,3)26(33)28-19-10-6-5-7-11-19/h8-9,12-16,18-19H,5-7,10-11,17H2,1-4H3,(H,28,33)/t27-/m0/s1.

What are the key properties of (3S)-N-cyclohexyl-8-methoxy-3-methyl-1-oxo-2-propan-2-yl-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide?

(3S)-N-cyclohexyl-8-methoxy-3-methyl-1-oxo-2-propan-2-yl-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 462.59 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-cyclohexyl-8-methoxy-3-methyl-1-oxo-2-propan-2-yl-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 92734790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).