(1R)-2-(2-ethylphenyl)-N-[(1S,2R)-2-methylcyclohexyl]-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide

C23H29N3O2 — CID 129419743

IUPAC(1R)-2-(2-ethylphenyl)-N-[(1S,2R)-2-methylcyclohexyl]-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide
SMILESCCc1ccccc1N1C(=O)Cn2cccc2[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C
InChIInChI=1S/C23H29N3O2/c1-3-17-10-5-7-12-19(17)26-21(27)15-25-14-8-13-20(25)22(26)23(28)24-18-11-6-4-9-16(18)2/h5,7-8,10,12-14,16,18,22H,3-4,6,9,11,15H2,1-2H3,(H,24,28)/t16-,18+,22-/m1/s1
InChIKeyWCXRNTIXLCXNQC-TVTNDZMWSA-N
MW379.50 g/mol
LogP3.83
Rot. Bonds4

About (1R)-2-(2-ethylphenyl)-N-[(1S,2R)-2-methylcyclohexyl]-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide

(1R)-2-(2-ethylphenyl)-N-[(1S,2R)-2-methylcyclohexyl]-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide (PubChem CID 129419743) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is (1R)-2-(2-ethylphenyl)-N-[(1S,2R)-2-methylcyclohexyl]-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide.

Molecular Properties

Compound Name(1R)-2-(2-ethylphenyl)-N-[(1S,2R)-2-methylcyclohexyl]-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide
PubChem CID129419743
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name(1R)-2-(2-ethylphenyl)-N-[(1S,2R)-2-methylcyclohexyl]-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide
SMILESCCc1ccccc1N1C(=O)Cn2cccc2[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C
InChIInChI=1S/C23H29N3O2/c1-3-17-10-5-7-12-19(17)26-21(27)15-25-14-8-13-20(25)22(26)23(28)24-18-11-6-4-9-16(18)2/h5,7-8,10,12-14,16,18,22H,3-4,6,9,11,15H2,1-2H3,(H,24,28)/t16-,18+,22-/m1/s1
InChIKeyWCXRNTIXLCXNQC-TVTNDZMWSA-N
XLogP3.83
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[(1R,2R)-2-methylcyclohexyl]-2-(4-methylphenyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide
CID 92734561
2-[(2-methoxyphenyl)methyl]-N-(2-methylcyclohexyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide
CID 46255616
(1R)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-ethoxyphenyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide
CID 129419607
2-(2-chlorophenyl)-N-(2-methylcyclohexyl)acetamide
CID 51166113
(3R)-1-benzyl-N-[(1S,2S)-2-methylcyclohexyl]-5-oxopyrrolidine-3-carboxamide
CID 51671621
N-[(1S,2R)-2-methylcyclohexyl]-4-pyrrol-1-ylcyclohexane-1-carboxamide
CID 95151166
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
N-[(1S,2R)-2-methylcyclohexyl]-2,2-diphenylacetamide
CID 7909419
2-ethyl-N-(2-methylcyclohexyl)aniline
CID 43095688
3-(1,3-dioxoisoindol-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 729676
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
(3R)-1-(2,3-dimethylphenyl)-N-[(1R,2R)-2-methylcyclohexyl]-5-oxopyrrolidine-3-carboxamide
CID 124833954

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(2-ethylphenyl)-N-[(1S,2R)-2-methylcyclohexyl]-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide?
The IUPAC name of (1R)-2-(2-ethylphenyl)-N-[(1S,2R)-2-methylcyclohexyl]-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide (CID 129419743) is (1R)-2-(2-ethylphenyl)-N-[(1S,2R)-2-methylcyclohexyl]-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide.
What is the SMILES notation for (1R)-2-(2-ethylphenyl)-N-[(1S,2R)-2-methylcyclohexyl]-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide?
The canonical SMILES for (1R)-2-(2-ethylphenyl)-N-[(1S,2R)-2-methylcyclohexyl]-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide is CCc1ccccc1N1C(=O)Cn2cccc2[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C.
What is the InChIKey of (1R)-2-(2-ethylphenyl)-N-[(1S,2R)-2-methylcyclohexyl]-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide?
The InChIKey is WCXRNTIXLCXNQC-TVTNDZMWSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-3-17-10-5-7-12-19(17)26-21(27)15-25-14-8-13-20(25)22(26)23(28)24-18-11-6-4-9-16(18)2/h5,7-8,10,12-14,16,18,22H,3-4,6,9,11,15H2,1-2H3,(H,24,28)/t16-,18+,22-/m1/s1.
What are the key properties of (1R)-2-(2-ethylphenyl)-N-[(1S,2R)-2-methylcyclohexyl]-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide?
(1R)-2-(2-ethylphenyl)-N-[(1S,2R)-2-methylcyclohexyl]-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(2-ethylphenyl)-N-[(1S,2R)-2-methylcyclohexyl]-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide is sourced from PubChem (CID 129419743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).