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

C26H36N4O3 — CID 92741302

IUPAC(3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-2-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESC[C@@H]1CCCCN1CCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCC1
InChIInChI=1S/C26H36N4O3/c1-19-8-5-6-14-28(19)15-16-30-24(31)22-13-12-21(23-11-7-17-33-23)29(22)18-26(30,2)25(32)27-20-9-3-4-10-20/h7,11-13,17,19-20H,3-6,8-10,14-16,18H2,1-2H3,(H,27,32)/t19-,26+/m1/s1
InChIKeyWAHZMLAZTCIQKN-BCHFMIIMSA-N
MW452.60 g/mol
LogP3.90
Rot. Bonds6

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

(3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-2-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 92741302) has the molecular formula C26H36N4O3 and a molecular weight of 452.60 g/mol. Its IUPAC name is (3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-2-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-2-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID92741302
Molecular FormulaC26H36N4O3
Molecular Weight452.60 g/mol
Exact Mass452.28
IUPAC Name(3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-2-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESC[C@@H]1CCCCN1CCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCC1
InChIInChI=1S/C26H36N4O3/c1-19-8-5-6-14-28(19)15-16-30-24(31)22-13-12-21(23-11-7-17-33-23)29(22)18-26(30,2)25(32)27-20-9-3-4-10-20/h7,11-13,17,19-20H,3-6,8-10,14-16,18H2,1-2H3,(H,27,32)/t19-,26+/m1/s1
InChIKeyWAHZMLAZTCIQKN-BCHFMIIMSA-N
XLogP3.90
TPSA70.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

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
(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
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
6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-propyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274265
N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-phenylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274218
(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
(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
(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
N-cyclooctyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 22554264
N-cyclooctyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 22554279
(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
(3R)-2-[(2-chlorophenyl)methyl]-N-cyclooctyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92704976

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-2-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of (3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-2-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 92741302) is (3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-2-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for (3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-2-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for (3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-2-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is C[C@@H]1CCCCN1CCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCC1.
What is the InChIKey of (3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-2-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is WAHZMLAZTCIQKN-BCHFMIIMSA-N. The full InChI is InChI=1S/C26H36N4O3/c1-19-8-5-6-14-28(19)15-16-30-24(31)22-13-12-21(23-11-7-17-33-23)29(22)18-26(30,2)25(32)27-20-9-3-4-10-20/h7,11-13,17,19-20H,3-6,8-10,14-16,18H2,1-2H3,(H,27,32)/t19-,26+/m1/s1.
What are the key properties of (3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-2-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
(3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-2-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 452.60 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-2-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 92741302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).