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

C23H29N3O4 — CID 53298936

IUPACN-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCC1(C(=O)NC2CCCC2)Cn2c(ccc2-c2ccco2)C(=O)N1CC1CCCO1
InChIInChI=1S/C23H29N3O4/c1-23(22(28)24-16-6-2-3-7-16)15-25-18(20-9-5-13-30-20)10-11-19(25)21(27)26(23)14-17-8-4-12-29-17/h5,9-11,13,16-17H,2-4,6-8,12,14-15H2,1H3,(H,24,28)
InChIKeyRFDMVQDABVALHU-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.20
Rot. Bonds5

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

N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 53298936) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID53298936
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCC1(C(=O)NC2CCCC2)Cn2c(ccc2-c2ccco2)C(=O)N1CC1CCCO1
InChIInChI=1S/C23H29N3O4/c1-23(22(28)24-16-6-2-3-7-16)15-25-18(20-9-5-13-30-20)10-11-19(25)21(27)26(23)14-17-8-4-12-29-17/h5,9-11,13,16-17H,2-4,6-8,12,14-15H2,1H3,(H,24,28)
InChIKeyRFDMVQDABVALHU-UHFFFAOYSA-N
XLogP3.20
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274268
(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
(3R)-N-cycloheptyl-6-(furan-2-yl)-3-methyl-2-[(2-methylphenyl)methyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741360
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
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)-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-2-cyclopropyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741287
N-cyclooctyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 22554264

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 53298936) is N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is CC1(C(=O)NC2CCCC2)Cn2c(ccc2-c2ccco2)C(=O)N1CC1CCCO1.
What is the InChIKey of N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is RFDMVQDABVALHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-23(22(28)24-16-6-2-3-7-16)15-25-18(20-9-5-13-30-20)10-11-19(25)21(27)26(23)14-17-8-4-12-29-17/h5,9-11,13,16-17H,2-4,6-8,12,14-15H2,1H3,(H,24,28).
What are the key properties of N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 411.50 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 53298936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).