(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

C25H35N3O3 — CID 124772386

IUPAC(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
SMILESCCCCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C
InChIInChI=1S/C25H35N3O3/c1-5-6-14-28-23(29)21-13-12-20(22-11-8-15-31-22)27(21)16-25(28,4)24(30)26-19-10-7-9-17(2)18(19)3/h8,11-13,15,17-19H,5-7,9-10,14,16H2,1-4H3,(H,26,30)/t17-,18-,19-,25-/m1/s1
InChIKeyXSQUAHPSNSIDIS-LLBQEJIASA-N
MW425.57 g/mol
LogP4.70
Rot. Bonds6

About (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

(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 (PubChem CID 124772386) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID124772386
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC Name(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
SMILESCCCCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C
InChIInChI=1S/C25H35N3O3/c1-5-6-14-28-23(29)21-13-12-20(22-11-8-15-31-22)27(21)16-25(28,4)24(30)26-19-10-7-9-17(2)18(19)3/h8,11-13,15,17-19H,5-7,9-10,14,16H2,1-4H3,(H,26,30)/t17-,18-,19-,25-/m1/s1
InChIKeyXSQUAHPSNSIDIS-LLBQEJIASA-N
XLogP4.70
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (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 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

(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
6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-propyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274265
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
N-cycloheptyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(3-piperidin-1-ylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274384
(3S)-6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741130
(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
(3S)-2-[2-[butyl(ethyl)amino]ethyl]-6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92704963
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
N-cyclooctyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 22554264
(3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(3-propan-2-yloxypropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741259
2-[2-(diethylamino)ethyl]-6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274282
N-(2,3-dimethylcyclohexyl)-11-methyl-9-oxo-10-(3-propylsulfanylpropyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide;ethane
CID 143130174

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCCCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C.
What is the InChIKey of (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?
The InChIKey is XSQUAHPSNSIDIS-LLBQEJIASA-N. The full InChI is InChI=1S/C25H35N3O3/c1-5-6-14-28-23(29)21-13-12-20(22-11-8-15-31-22)27(21)16-25(28,4)24(30)26-19-10-7-9-17(2)18(19)3/h8,11-13,15,17-19H,5-7,9-10,14,16H2,1-4H3,(H,26,30)/t17-,18-,19-,25-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 425.57 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 124772386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).