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

C22H27N3O2 — CID 92734561

IUPAC(1R)-N-[(1R,2R)-2-methylcyclohexyl]-2-(4-methylphenyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide
SMILESCc1ccc(N2C(=O)Cn3cccc3[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2C)cc1
InChIInChI=1S/C22H27N3O2/c1-15-9-11-17(12-10-15)25-20(26)14-24-13-5-8-19(24)21(25)22(27)23-18-7-4-3-6-16(18)2/h5,8-13,16,18,21H,3-4,6-7,14H2,1-2H3,(H,23,27)/t16-,18-,21-/m1/s1
InChIKeyJYGSSJISKAQDGC-HGHGUNKESA-N
MW365.48 g/mol
LogP3.58
Rot. Bonds3

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

(1R)-N-[(1R,2R)-2-methylcyclohexyl]-2-(4-methylphenyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide (PubChem CID 92734561) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (1R)-N-[(1R,2R)-2-methylcyclohexyl]-2-(4-methylphenyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[(1R,2R)-2-methylcyclohexyl]-2-(4-methylphenyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide
PubChem CID92734561
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(1R)-N-[(1R,2R)-2-methylcyclohexyl]-2-(4-methylphenyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide
SMILESCc1ccc(N2C(=O)Cn3cccc3[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2C)cc1
InChIInChI=1S/C22H27N3O2/c1-15-9-11-17(12-10-15)25-20(26)14-24-13-5-8-19(24)21(25)22(27)23-18-7-4-3-6-16(18)2/h5,8-13,16,18,21H,3-4,6-7,14H2,1-2H3,(H,23,27)/t16-,18-,21-/m1/s1
InChIKeyJYGSSJISKAQDGC-HGHGUNKESA-N
XLogP3.58
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2-(2-ethylphenyl)-N-[(1S,2R)-2-methylcyclohexyl]-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide
CID 129419743
2-[(2-methoxyphenyl)methyl]-N-(2-methylcyclohexyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide
CID 46255616
1-(2-methylcyclohexyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969419
N-(2-methylcyclohexyl)-4-pyrrol-1-ylbenzamide
CID 24537639
N-[(1S,2R)-2-methylcyclohexyl]-4-pyrrol-1-ylcyclohexane-1-carboxamide
CID 95151166
N-(2-methylcyclohexyl)-2-(4-methylphenyl)-2-oxoacetamide
CID 47121272
N-[(1R,2S)-2-methylcyclohexyl]-2-(4-methylphenyl)sulfanylacetamide
CID 894002
N-[(1R,2R)-2-methylcyclohexyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 40563886
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
3-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 848103
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
N-(2-methylcyclohexyl)-4-(5-methylpyrazol-1-yl)benzamide
CID 46651476

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(1R,2R)-2-methylcyclohexyl]-2-(4-methylphenyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide?
The IUPAC name of (1R)-N-[(1R,2R)-2-methylcyclohexyl]-2-(4-methylphenyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide (CID 92734561) is (1R)-N-[(1R,2R)-2-methylcyclohexyl]-2-(4-methylphenyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide.
What is the SMILES notation for (1R)-N-[(1R,2R)-2-methylcyclohexyl]-2-(4-methylphenyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide?
The canonical SMILES for (1R)-N-[(1R,2R)-2-methylcyclohexyl]-2-(4-methylphenyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide is Cc1ccc(N2C(=O)Cn3cccc3[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2C)cc1.
What is the InChIKey of (1R)-N-[(1R,2R)-2-methylcyclohexyl]-2-(4-methylphenyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide?
The InChIKey is JYGSSJISKAQDGC-HGHGUNKESA-N. The full InChI is InChI=1S/C22H27N3O2/c1-15-9-11-17(12-10-15)25-20(26)14-24-13-5-8-19(24)21(25)22(27)23-18-7-4-3-6-16(18)2/h5,8-13,16,18,21H,3-4,6-7,14H2,1-2H3,(H,23,27)/t16-,18-,21-/m1/s1.
What are the key properties of (1R)-N-[(1R,2R)-2-methylcyclohexyl]-2-(4-methylphenyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide?
(1R)-N-[(1R,2R)-2-methylcyclohexyl]-2-(4-methylphenyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(1R,2R)-2-methylcyclohexyl]-2-(4-methylphenyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide is sourced from PubChem (CID 92734561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).