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

C24H31N3O3 — CID 129419607

IUPAC(1R)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-ethoxyphenyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide
SMILESCCOc1ccc(N2C(=O)Cn3cccc3[C@@H]2C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1
InChIInChI=1S/C24H31N3O3/c1-4-30-19-12-10-18(11-13-19)27-22(28)15-26-14-6-9-21(26)23(27)24(29)25-20-8-5-7-16(2)17(20)3/h6,9-14,16-17,20,23H,4-5,7-8,15H2,1-3H3,(H,25,29)/t16-,17+,20+,23+/m0/s1
InChIKeyBZRLJWOZVHJELJ-PYDOFHOQSA-N
MW409.53 g/mol
LogP3.92
Rot. Bonds5

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

(1R)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-ethoxyphenyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide (PubChem CID 129419607) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is (1R)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-ethoxyphenyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-ethoxyphenyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide
PubChem CID129419607
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name(1R)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-ethoxyphenyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide
SMILESCCOc1ccc(N2C(=O)Cn3cccc3[C@@H]2C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1
InChIInChI=1S/C24H31N3O3/c1-4-30-19-12-10-18(11-13-19)27-22(28)15-26-14-6-9-21(26)23(27)24(29)25-20-8-5-7-16(2)17(20)3/h6,9-14,16-17,20,23H,4-5,7-8,15H2,1-3H3,(H,25,29)/t16-,17+,20+,23+/m0/s1
InChIKeyBZRLJWOZVHJELJ-PYDOFHOQSA-N
XLogP3.92
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-ethoxyphenyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-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

(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
(3S)-3-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 11895663
1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-[[2-(4-ethoxyphenoxy)acetyl]amino]thiourea
CID 11946390
1-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]thiourea
CID 11945993
(4S)-6-bromo-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-(4-ethoxyphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide
CID 92653846
2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11908078
2-[[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 5131069
(2R,3S)-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 98460106
(2S)-2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]propanamide
CID 11924755
(2R)-2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]propanamide
CID 11924754
(3R)-1-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 11928680

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-ethoxyphenyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide?
The IUPAC name of (1R)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-ethoxyphenyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide (CID 129419607) is (1R)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-ethoxyphenyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide.
What is the SMILES notation for (1R)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-ethoxyphenyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide?
The canonical SMILES for (1R)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-ethoxyphenyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide is CCOc1ccc(N2C(=O)Cn3cccc3[C@@H]2C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1.
What is the InChIKey of (1R)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-ethoxyphenyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide?
The InChIKey is BZRLJWOZVHJELJ-PYDOFHOQSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-4-30-19-12-10-18(11-13-19)27-22(28)15-26-14-6-9-21(26)23(27)24(29)25-20-8-5-7-16(2)17(20)3/h6,9-14,16-17,20,23H,4-5,7-8,15H2,1-3H3,(H,25,29)/t16-,17+,20+,23+/m0/s1.
What are the key properties of (1R)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-ethoxyphenyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide?
(1R)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-ethoxyphenyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-ethoxyphenyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide is sourced from PubChem (CID 129419607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).