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

C21H25N3O3 — CID 92741287

IUPAC(3S)-N-cyclopentyl-2-cyclopropyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESC[C@@]1(C(=O)NC2CCCC2)Cn2c(ccc2-c2ccco2)C(=O)N1C1CC1
InChIInChI=1S/C21H25N3O3/c1-21(20(26)22-14-5-2-3-6-14)13-23-16(18-7-4-12-27-18)10-11-17(23)19(25)24(21)15-8-9-15/h4,7,10-12,14-15H,2-3,5-6,8-9,13H2,1H3,(H,22,26)/t21-/m0/s1
InChIKeyGQPXOHJLUQVCCF-NRFANRHFSA-N
MW367.45 g/mol
LogP3.18
Rot. Bonds4

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

(3S)-N-cyclopentyl-2-cyclopropyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 92741287) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is (3S)-N-cyclopentyl-2-cyclopropyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclopentyl-2-cyclopropyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID92741287
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name(3S)-N-cyclopentyl-2-cyclopropyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESC[C@@]1(C(=O)NC2CCCC2)Cn2c(ccc2-c2ccco2)C(=O)N1C1CC1
InChIInChI=1S/C21H25N3O3/c1-21(20(26)22-14-5-2-3-6-14)13-23-16(18-7-4-12-27-18)10-11-17(23)19(25)24(21)15-8-9-15/h4,7,10-12,14-15H,2-3,5-6,8-9,13H2,1H3,(H,22,26)/t21-/m0/s1
InChIKeyGQPXOHJLUQVCCF-NRFANRHFSA-N
XLogP3.18
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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)-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
N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-phenylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274218
(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-cyclopentyl-2-(3,5-dimethoxyphenyl)-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741197
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
N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 53298936
(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-cycloheptyl-6-(furan-2-yl)-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92734796
(3R)-N-cyclohexyl-6-(furan-2-yl)-3-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741114
(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

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopentyl-2-cyclopropyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of (3S)-N-cyclopentyl-2-cyclopropyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 92741287) is (3S)-N-cyclopentyl-2-cyclopropyl-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-cyclopropyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for (3S)-N-cyclopentyl-2-cyclopropyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is C[C@@]1(C(=O)NC2CCCC2)Cn2c(ccc2-c2ccco2)C(=O)N1C1CC1.
What is the InChIKey of (3S)-N-cyclopentyl-2-cyclopropyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is GQPXOHJLUQVCCF-NRFANRHFSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-21(20(26)22-14-5-2-3-6-14)13-23-16(18-7-4-12-27-18)10-11-17(23)19(25)24(21)15-8-9-15/h4,7,10-12,14-15H,2-3,5-6,8-9,13H2,1H3,(H,22,26)/t21-/m0/s1.
What are the key properties of (3S)-N-cyclopentyl-2-cyclopropyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
(3S)-N-cyclopentyl-2-cyclopropyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopentyl-2-cyclopropyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 92741287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).