(3R)-10-acetamido-N-cyclopentyl-8-fluoro-3-methyl-2-(4-methylphenyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

C27H29FN4O3 — CID 92741796

IUPAC(3R)-10-acetamido-N-cyclopentyl-8-fluoro-3-methyl-2-(4-methylphenyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCC(=O)Nc1c2n(c3ccc(F)cc13)C[C@](C)(C(=O)NC1CCCC1)N(c1ccc(C)cc1)C2=O
InChIInChI=1S/C27H29FN4O3/c1-16-8-11-20(12-9-16)32-25(34)24-23(29-17(2)33)21-14-18(28)10-13-22(21)31(24)15-27(32,3)26(35)30-19-6-4-5-7-19/h8-14,19H,4-7,15H2,1-3H3,(H,29,33)(H,30,35)/t27-/m1/s1
InChIKeyCZPSZIPAQZHADT-HHHXNRCGSA-N
MW476.55 g/mol
LogP4.53
Rot. Bonds4

About (3R)-10-acetamido-N-cyclopentyl-8-fluoro-3-methyl-2-(4-methylphenyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

(3R)-10-acetamido-N-cyclopentyl-8-fluoro-3-methyl-2-(4-methylphenyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 92741796) has the molecular formula C27H29FN4O3 and a molecular weight of 476.55 g/mol. Its IUPAC name is (3R)-10-acetamido-N-cyclopentyl-8-fluoro-3-methyl-2-(4-methylphenyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound Name(3R)-10-acetamido-N-cyclopentyl-8-fluoro-3-methyl-2-(4-methylphenyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID92741796
Molecular FormulaC27H29FN4O3
Molecular Weight476.55 g/mol
Exact Mass476.22
IUPAC Name(3R)-10-acetamido-N-cyclopentyl-8-fluoro-3-methyl-2-(4-methylphenyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCC(=O)Nc1c2n(c3ccc(F)cc13)C[C@](C)(C(=O)NC1CCCC1)N(c1ccc(C)cc1)C2=O
InChIInChI=1S/C27H29FN4O3/c1-16-8-11-20(12-9-16)32-25(34)24-23(29-17(2)33)21-14-18(28)10-13-22(21)31(24)15-27(32,3)26(35)30-19-6-4-5-7-19/h8-14,19H,4-7,15H2,1-3H3,(H,29,33)(H,30,35)/t27-/m1/s1
InChIKeyCZPSZIPAQZHADT-HHHXNRCGSA-N
XLogP4.53
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

10-acetamido-N-cyclopentyl-8-fluoro-2-(4-methoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 50757356
(3S)-10-acetamido-N-cyclopentyl-8-fluoro-3-methyl-2-[(4-methylphenyl)methyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741767
(3S)-10-acetamido-2-[(2R)-butan-2-yl]-N-cyclopentyl-8-fluoro-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741806
(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-cyclohexyl-8-fluoro-2-(2-methoxyethyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741829
(3R)-10-acetamido-2-[2-(cyclohexen-1-yl)ethyl]-N-cyclopentyl-8-fluoro-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92886553
(3S)-10-acetamido-N-cyclopentyl-8-fluoro-3-methyl-1-oxo-2-[[(2R)-oxolan-2-yl]methyl]-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741781
(3S)-10-acetamido-N,2-dicyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741915
10-acetamido-N,2-di(cycloheptyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46274547
(3S)-10-acetamido-N-cyclopentyl-8-methoxy-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741665
(3R)-10-acetamido-N-cyclopentyl-8-methoxy-3-methyl-2-(3-methylbutyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741668
(3S)-10-acetamido-N-cyclopentyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741898

Frequently Asked Questions

What is the IUPAC name of (3R)-10-acetamido-N-cyclopentyl-8-fluoro-3-methyl-2-(4-methylphenyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of (3R)-10-acetamido-N-cyclopentyl-8-fluoro-3-methyl-2-(4-methylphenyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 92741796) is (3R)-10-acetamido-N-cyclopentyl-8-fluoro-3-methyl-2-(4-methylphenyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for (3R)-10-acetamido-N-cyclopentyl-8-fluoro-3-methyl-2-(4-methylphenyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for (3R)-10-acetamido-N-cyclopentyl-8-fluoro-3-methyl-2-(4-methylphenyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is CC(=O)Nc1c2n(c3ccc(F)cc13)C[C@](C)(C(=O)NC1CCCC1)N(c1ccc(C)cc1)C2=O.
What is the InChIKey of (3R)-10-acetamido-N-cyclopentyl-8-fluoro-3-methyl-2-(4-methylphenyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is CZPSZIPAQZHADT-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H29FN4O3/c1-16-8-11-20(12-9-16)32-25(34)24-23(29-17(2)33)21-14-18(28)10-13-22(21)31(24)15-27(32,3)26(35)30-19-6-4-5-7-19/h8-14,19H,4-7,15H2,1-3H3,(H,29,33)(H,30,35)/t27-/m1/s1.
What are the key properties of (3R)-10-acetamido-N-cyclopentyl-8-fluoro-3-methyl-2-(4-methylphenyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
(3R)-10-acetamido-N-cyclopentyl-8-fluoro-3-methyl-2-(4-methylphenyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 476.55 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-10-acetamido-N-cyclopentyl-8-fluoro-3-methyl-2-(4-methylphenyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 92741796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).