(3R)-N-cyclopentyl-3-methyl-1-oxo-6-phenyl-2-(2-phenylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

C28H31N3O2 — CID 92886636

IUPAC(3R)-N-cyclopentyl-3-methyl-1-oxo-6-phenyl-2-(2-phenylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESC[C@]1(C(=O)NC2CCCC2)Cn2c(ccc2-c2ccccc2)C(=O)N1CCc1ccccc1
InChIInChI=1S/C28H31N3O2/c1-28(27(33)29-23-14-8-9-15-23)20-30-24(22-12-6-3-7-13-22)16-17-25(30)26(32)31(28)19-18-21-10-4-2-5-11-21/h2-7,10-13,16-17,23H,8-9,14-15,18-20H2,1H3,(H,29,33)/t28-/m1/s1
InChIKeyKOJLAFKPWDBTMJ-MUUNZHRXSA-N
MW441.58 g/mol
LogP4.67
Rot. Bonds6

About (3R)-N-cyclopentyl-3-methyl-1-oxo-6-phenyl-2-(2-phenylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

(3R)-N-cyclopentyl-3-methyl-1-oxo-6-phenyl-2-(2-phenylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 92886636) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is (3R)-N-cyclopentyl-3-methyl-1-oxo-6-phenyl-2-(2-phenylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclopentyl-3-methyl-1-oxo-6-phenyl-2-(2-phenylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID92886636
Molecular FormulaC28H31N3O2
Molecular Weight441.58 g/mol
Exact Mass441.24
IUPAC Name(3R)-N-cyclopentyl-3-methyl-1-oxo-6-phenyl-2-(2-phenylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESC[C@]1(C(=O)NC2CCCC2)Cn2c(ccc2-c2ccccc2)C(=O)N1CCc1ccccc1
InChIInChI=1S/C28H31N3O2/c1-28(27(33)29-23-14-8-9-15-23)20-30-24(22-12-6-3-7-13-22)16-17-25(30)26(32)31(28)19-18-21-10-4-2-5-11-21/h2-7,10-13,16-17,23H,8-9,14-15,18-20H2,1H3,(H,29,33)/t28-/m1/s1
InChIKeyKOJLAFKPWDBTMJ-MUUNZHRXSA-N
XLogP4.67
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-N-cyclopentyl-3-methyl-1-oxo-6-phenyl-2-(2-phenylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-butyl-N-cyclooctyl-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 20907926
N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-phenylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274218
(3S)-N-cyclopentyl-3-methyl-2-[(4-methylphenyl)methyl]-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92886627
N-cyclooctyl-3-methyl-1-oxo-6-phenyl-2-(pyridin-3-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 20907911
N-cycloheptyl-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 20907899
N-cyclopentyl-3-methyl-2-[(2-methylphenyl)methyl]-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 50757978
(3S)-N-cyclopentyl-2-[(4-ethoxyphenyl)methyl]-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92742145
N-cyclohexyl-3-methyl-1-oxo-2-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 50757973
N-cyclooctyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 22554264
N-cyclohexyl-2-(furan-2-ylmethyl)-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46275395
N-cycloheptyl-4-ethyl-11-methyl-9-oxo-10-(2-phenylethyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 22514742
(3R)-N-cyclohexyl-2-[2-(4-ethoxyphenyl)ethyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741067

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopentyl-3-methyl-1-oxo-6-phenyl-2-(2-phenylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of (3R)-N-cyclopentyl-3-methyl-1-oxo-6-phenyl-2-(2-phenylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 92886636) is (3R)-N-cyclopentyl-3-methyl-1-oxo-6-phenyl-2-(2-phenylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclopentyl-3-methyl-1-oxo-6-phenyl-2-(2-phenylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for (3R)-N-cyclopentyl-3-methyl-1-oxo-6-phenyl-2-(2-phenylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is C[C@]1(C(=O)NC2CCCC2)Cn2c(ccc2-c2ccccc2)C(=O)N1CCc1ccccc1.
What is the InChIKey of (3R)-N-cyclopentyl-3-methyl-1-oxo-6-phenyl-2-(2-phenylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is KOJLAFKPWDBTMJ-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H31N3O2/c1-28(27(33)29-23-14-8-9-15-23)20-30-24(22-12-6-3-7-13-22)16-17-25(30)26(32)31(28)19-18-21-10-4-2-5-11-21/h2-7,10-13,16-17,23H,8-9,14-15,18-20H2,1H3,(H,29,33)/t28-/m1/s1.
What are the key properties of (3R)-N-cyclopentyl-3-methyl-1-oxo-6-phenyl-2-(2-phenylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
(3R)-N-cyclopentyl-3-methyl-1-oxo-6-phenyl-2-(2-phenylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 441.58 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclopentyl-3-methyl-1-oxo-6-phenyl-2-(2-phenylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 92886636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).