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

C25H28N4O3 — CID 92741008

IUPAC(3S)-N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(pyridin-3-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESC[C@@]1(C(=O)NC2CCCCC2)Cn2c(ccc2-c2ccco2)C(=O)N1Cc1cccnc1
InChIInChI=1S/C25H28N4O3/c1-25(24(31)27-19-8-3-2-4-9-19)17-28-20(22-10-6-14-32-22)11-12-21(28)23(30)29(25)16-18-7-5-13-26-15-18/h5-7,10-15,19H,2-4,8-9,16-17H2,1H3,(H,27,31)/t25-/m0/s1
InChIKeyLJDKCPBUFVQDMP-VWLOTQADSA-N
MW432.52 g/mol
LogP4.01
Rot. Bonds5

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

(3S)-N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(pyridin-3-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 92741008) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is (3S)-N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(pyridin-3-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(pyridin-3-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID92741008
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name(3S)-N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(pyridin-3-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESC[C@@]1(C(=O)NC2CCCCC2)Cn2c(ccc2-c2ccco2)C(=O)N1Cc1cccnc1
InChIInChI=1S/C25H28N4O3/c1-25(24(31)27-19-8-3-2-4-9-19)17-28-20(22-10-6-14-32-22)11-12-21(28)23(30)29(25)16-18-7-5-13-26-15-18/h5-7,10-15,19H,2-4,8-9,16-17H2,1H3,(H,27,31)/t25-/m0/s1
InChIKeyLJDKCPBUFVQDMP-VWLOTQADSA-N
XLogP4.01
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(pyridin-3-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274286
(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
(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
(3S)-N-cyclohexyl-6-(furan-2-yl)-2-[(3-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741038
(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
N-cyclohexyl-2-[(3-fluorophenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274238
N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(pyridin-3-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 71172110
N-cyclooctyl-3-methyl-1-oxo-6-phenyl-2-(pyridin-3-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 20907911
(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-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-phenylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274218
N-cyclooctyl-11-methyl-9-oxo-10-(pyridin-3-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 22521801
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

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(pyridin-3-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of (3S)-N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(pyridin-3-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 92741008) is (3S)-N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(pyridin-3-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for (3S)-N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(pyridin-3-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for (3S)-N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(pyridin-3-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is C[C@@]1(C(=O)NC2CCCCC2)Cn2c(ccc2-c2ccco2)C(=O)N1Cc1cccnc1.
What is the InChIKey of (3S)-N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(pyridin-3-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is LJDKCPBUFVQDMP-VWLOTQADSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-25(24(31)27-19-8-3-2-4-9-19)17-28-20(22-10-6-14-32-22)11-12-21(28)23(30)29(25)16-18-7-5-13-26-15-18/h5-7,10-15,19H,2-4,8-9,16-17H2,1H3,(H,27,31)/t25-/m0/s1.
What are the key properties of (3S)-N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(pyridin-3-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
(3S)-N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(pyridin-3-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(pyridin-3-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 92741008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).