(3S)-N-cyclopentyl-2-(3,5-dimethoxyphenyl)-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

C26H29N3O5 — CID 92741197

IUPAC(3S)-N-cyclopentyl-2-(3,5-dimethoxyphenyl)-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCOc1cc(OC)cc(N2C(=O)c3ccc(-c4ccco4)n3C[C@@]2(C)C(=O)NC2CCCC2)c1
InChIInChI=1S/C26H29N3O5/c1-26(25(31)27-17-7-4-5-8-17)16-28-21(23-9-6-12-34-23)10-11-22(28)24(30)29(26)18-13-19(32-2)15-20(14-18)33-3/h6,9-15,17H,4-5,7-8,16H2,1-3H3,(H,27,31)/t26-/m0/s1
InChIKeyARPANNHWRBVRJI-SANMLTNESA-N
MW463.53 g/mol
LogP4.24
Rot. Bonds6

About (3S)-N-cyclopentyl-2-(3,5-dimethoxyphenyl)-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

(3S)-N-cyclopentyl-2-(3,5-dimethoxyphenyl)-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 92741197) has the molecular formula C26H29N3O5 and a molecular weight of 463.53 g/mol. Its IUPAC name is (3S)-N-cyclopentyl-2-(3,5-dimethoxyphenyl)-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclopentyl-2-(3,5-dimethoxyphenyl)-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID92741197
Molecular FormulaC26H29N3O5
Molecular Weight463.53 g/mol
Exact Mass463.21
IUPAC Name(3S)-N-cyclopentyl-2-(3,5-dimethoxyphenyl)-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCOc1cc(OC)cc(N2C(=O)c3ccc(-c4ccco4)n3C[C@@]2(C)C(=O)NC2CCCC2)c1
InChIInChI=1S/C26H29N3O5/c1-26(25(31)27-17-7-4-5-8-17)16-28-21(23-9-6-12-34-23)10-11-22(28)24(30)29(26)18-13-19(32-2)15-20(14-18)33-3/h6,9-15,17H,4-5,7-8,16H2,1-3H3,(H,27,31)/t26-/m0/s1
InChIKeyARPANNHWRBVRJI-SANMLTNESA-N
XLogP4.24
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(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
(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
(3R)-N-cyclopentyl-2-(2,3-dimethylphenyl)-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741202
(3S)-N-cyclopentyl-2-cyclopropyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741287
(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-cyclopentyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274316
N-cyclohexyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274220
N-cycloheptyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274362
N-cyclooctyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 22554270
(3S)-N-cycloheptyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741333
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
(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

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopentyl-2-(3,5-dimethoxyphenyl)-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of (3S)-N-cyclopentyl-2-(3,5-dimethoxyphenyl)-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 92741197) is (3S)-N-cyclopentyl-2-(3,5-dimethoxyphenyl)-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for (3S)-N-cyclopentyl-2-(3,5-dimethoxyphenyl)-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for (3S)-N-cyclopentyl-2-(3,5-dimethoxyphenyl)-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is COc1cc(OC)cc(N2C(=O)c3ccc(-c4ccco4)n3C[C@@]2(C)C(=O)NC2CCCC2)c1.
What is the InChIKey of (3S)-N-cyclopentyl-2-(3,5-dimethoxyphenyl)-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is ARPANNHWRBVRJI-SANMLTNESA-N. The full InChI is InChI=1S/C26H29N3O5/c1-26(25(31)27-17-7-4-5-8-17)16-28-21(23-9-6-12-34-23)10-11-22(28)24(30)29(26)18-13-19(32-2)15-20(14-18)33-3/h6,9-15,17H,4-5,7-8,16H2,1-3H3,(H,27,31)/t26-/m0/s1.
What are the key properties of (3S)-N-cyclopentyl-2-(3,5-dimethoxyphenyl)-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
(3S)-N-cyclopentyl-2-(3,5-dimethoxyphenyl)-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 463.53 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopentyl-2-(3,5-dimethoxyphenyl)-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 92741197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).