10-acetamido-N,2-di(cycloheptyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

C29H40N4O3 — CID 46274547

IUPAC10-acetamido-N,2-di(cycloheptyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCC(=O)Nc1c2n(c3ccccc13)CC(C)(C(=O)NC1CCCCCC1)N(C1CCCCCC1)C2=O
InChIInChI=1S/C29H40N4O3/c1-20(34)30-25-23-17-11-12-18-24(23)32-19-29(2,28(36)31-21-13-7-3-4-8-14-21)33(27(35)26(25)32)22-15-9-5-6-10-16-22/h11-12,17-18,21-22H,3-10,13-16,19H2,1-2H3,(H,30,34)(H,31,36)
InChIKeyQHZKAFNHLHMHGW-UHFFFAOYSA-N
MW492.66 g/mol
LogP5.38
Rot. Bonds4

About 10-acetamido-N,2-di(cycloheptyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

10-acetamido-N,2-di(cycloheptyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 46274547) has the molecular formula C29H40N4O3 and a molecular weight of 492.66 g/mol. Its IUPAC name is 10-acetamido-N,2-di(cycloheptyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound Name10-acetamido-N,2-di(cycloheptyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID46274547
Molecular FormulaC29H40N4O3
Molecular Weight492.66 g/mol
Exact Mass492.31
IUPAC Name10-acetamido-N,2-di(cycloheptyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCC(=O)Nc1c2n(c3ccccc13)CC(C)(C(=O)NC1CCCCCC1)N(C1CCCCCC1)C2=O
InChIInChI=1S/C29H40N4O3/c1-20(34)30-25-23-17-11-12-18-24(23)32-19-29(2,28(36)31-21-13-7-3-4-8-14-21)33(27(35)26(25)32)22-15-9-5-6-10-16-22/h11-12,17-18,21-22H,3-10,13-16,19H2,1-2H3,(H,30,34)(H,31,36)
InChIKeyQHZKAFNHLHMHGW-UHFFFAOYSA-N
XLogP5.38
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.66
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-10-acetamido-N,2-dicyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741915
(3R)-10-acetamido-N-cyclohexyl-3-methyl-2-(4-methylcyclohexyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741883
(3S)-10-acetamido-N-cyclopentyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741898
10-acetamido-N-cyclopentyl-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46274552
N-cycloheptyl-2-cyclopentyl-8-fluoro-3-methyl-1-oxo-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46260879
(3R)-N,2-di(cycloheptyl)-8-fluoro-3-methyl-1-oxo-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92716273
(3S)-N,2-di(cycloheptyl)-8-fluoro-3-methyl-1-oxo-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92716272
(3S)-10-acetamido-2-cyclohexyl-8-fluoro-3-methyl-N-(3-methylbutyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741749
(3S)-10-acetamido-N-cyclopentyl-8-fluoro-2-[(4-fluorophenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741785
(3R)-10-acetamido-N-cyclopentyl-8-fluoro-3-methyl-2-(4-methylphenyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741796
(3R)-10-acetamido-N-cyclohexyl-8-fluoro-2-(2-methoxyethyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741829
(3R)-N-cyclopentyl-2-cyclopropyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92903630

Frequently Asked Questions

What is the IUPAC name of 10-acetamido-N,2-di(cycloheptyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of 10-acetamido-N,2-di(cycloheptyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 46274547) is 10-acetamido-N,2-di(cycloheptyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for 10-acetamido-N,2-di(cycloheptyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for 10-acetamido-N,2-di(cycloheptyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is CC(=O)Nc1c2n(c3ccccc13)CC(C)(C(=O)NC1CCCCCC1)N(C1CCCCCC1)C2=O.
What is the InChIKey of 10-acetamido-N,2-di(cycloheptyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is QHZKAFNHLHMHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N4O3/c1-20(34)30-25-23-17-11-12-18-24(23)32-19-29(2,28(36)31-21-13-7-3-4-8-14-21)33(27(35)26(25)32)22-15-9-5-6-10-16-22/h11-12,17-18,21-22H,3-10,13-16,19H2,1-2H3,(H,30,34)(H,31,36).
What are the key properties of 10-acetamido-N,2-di(cycloheptyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
10-acetamido-N,2-di(cycloheptyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 492.66 g/mol, XLogP of 5.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-acetamido-N,2-di(cycloheptyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 46274547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).