(3R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-6-(furan-2-yl)-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

C26H31N3O4 — CID 98664822

IUPAC(3R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-6-(furan-2-yl)-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESC[C@H]1[C@H](C)CCC[C@@H]1NC(=O)[C@@]1(C)Cn2c(ccc2-c2ccco2)C(=O)N1Cc1ccco1
InChIInChI=1S/C26H31N3O4/c1-17-7-4-9-20(18(17)2)27-25(31)26(3)16-28-21(23-10-6-14-33-23)11-12-22(28)24(30)29(26)15-19-8-5-13-32-19/h5-6,8,10-14,17-18,20H,4,7,9,15-16H2,1-3H3,(H,27,31)/t17-,18+,20+,26-/m1/s1
InChIKeyQZRZCEZOOJEPLG-BVFWVQIHSA-N
MW449.55 g/mol
LogP4.70
Rot. Bonds5

About (3R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-6-(furan-2-yl)-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

(3R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-6-(furan-2-yl)-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 98664822) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is (3R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-6-(furan-2-yl)-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-6-(furan-2-yl)-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID98664822
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC Name(3R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-6-(furan-2-yl)-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESC[C@H]1[C@H](C)CCC[C@@H]1NC(=O)[C@@]1(C)Cn2c(ccc2-c2ccco2)C(=O)N1Cc1ccco1
InChIInChI=1S/C26H31N3O4/c1-17-7-4-9-20(18(17)2)27-25(31)26(3)16-28-21(23-10-6-14-33-23)11-12-22(28)24(30)29(26)15-19-8-5-13-32-19/h5-6,8,10-14,17-18,20H,4,7,9,15-16H2,1-3H3,(H,27,31)/t17-,18+,20+,26-/m1/s1
InChIKeyQZRZCEZOOJEPLG-BVFWVQIHSA-N
XLogP4.70
TPSA80.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-6-(furan-2-yl)-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3R)-2-butyl-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 124772386
(3R)-N-cyclohexyl-6-(furan-2-yl)-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741019
N-(2,3-dimethylcyclohexyl)-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 46274134
N-cyclohexyl-6-(furan-2-yl)-2-[2-(furan-2-yl)ethyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46261229
2-[(2-ethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-N-(2-methylcyclohexyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274422
10-(furan-2-ylmethyl)-11-methyl-N-(2-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 71172278
(3R)-N-cycloheptyl-6-(furan-2-yl)-3-methyl-2-[(4-methylphenyl)methyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92734799
N-cyclohexyl-2-(furan-2-ylmethyl)-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46275395
(3R)-6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-2-[(4-methylphenyl)methyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741127
(3R)-2-[(4-chlorophenyl)methyl]-N-cyclooctyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92704978
6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-propyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274265
(3S)-N-cycloheptyl-6-(furan-2-yl)-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92734796

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-6-(furan-2-yl)-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of (3R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-6-(furan-2-yl)-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 98664822) is (3R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-6-(furan-2-yl)-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-6-(furan-2-yl)-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for (3R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-6-(furan-2-yl)-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is C[C@H]1[C@H](C)CCC[C@@H]1NC(=O)[C@@]1(C)Cn2c(ccc2-c2ccco2)C(=O)N1Cc1ccco1.
What is the InChIKey of (3R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-6-(furan-2-yl)-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is QZRZCEZOOJEPLG-BVFWVQIHSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-17-7-4-9-20(18(17)2)27-25(31)26(3)16-28-21(23-10-6-14-33-23)11-12-22(28)24(30)29(26)15-19-8-5-13-32-19/h5-6,8,10-14,17-18,20H,4,7,9,15-16H2,1-3H3,(H,27,31)/t17-,18+,20+,26-/m1/s1.
What are the key properties of (3R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-6-(furan-2-yl)-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
(3R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-6-(furan-2-yl)-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 449.55 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-6-(furan-2-yl)-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 98664822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).