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

C27H31N3O3 — CID 92741250

IUPAC(3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-[(2S)-2-phenylpropyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESC[C@H](CN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCC1)c1ccccc1
InChIInChI=1S/C27H31N3O3/c1-19(20-9-4-3-5-10-20)17-30-25(31)23-15-14-22(24-13-8-16-33-24)29(23)18-27(30,2)26(32)28-21-11-6-7-12-21/h3-5,8-10,13-16,19,21H,6-7,11-12,17-18H2,1-2H3,(H,28,32)/t19-,27+/m1/s1
InChIKeyHGEOGQCJLDWETJ-WINIVTDRSA-N
MW445.56 g/mol
LogP4.83
Rot. Bonds6

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

(3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-[(2S)-2-phenylpropyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 92741250) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is (3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-[(2S)-2-phenylpropyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-[(2S)-2-phenylpropyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID92741250
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC Name(3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-[(2S)-2-phenylpropyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESC[C@H](CN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCC1)c1ccccc1
InChIInChI=1S/C27H31N3O3/c1-19(20-9-4-3-5-10-20)17-30-25(31)23-15-14-22(24-13-8-16-33-24)29(23)18-27(30,2)26(32)28-21-11-6-7-12-21/h3-5,8-10,13-16,19,21H,6-7,11-12,17-18H2,1-2H3,(H,28,32)/t19-,27+/m1/s1
InChIKeyHGEOGQCJLDWETJ-WINIVTDRSA-N
XLogP4.83
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-phenylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274218
N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(2-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 46272580
N-cyclooctyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 22554264
(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
(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-(3-propan-2-yloxypropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274227
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
(3S)-N-cyclohexyl-3-methyl-1-oxo-2-[(2R)-2-phenylpropyl]-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739468
(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

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-[(2S)-2-phenylpropyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of (3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-[(2S)-2-phenylpropyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 92741250) is (3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-[(2S)-2-phenylpropyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for (3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-[(2S)-2-phenylpropyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for (3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-[(2S)-2-phenylpropyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is C[C@H](CN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCC1)c1ccccc1.
What is the InChIKey of (3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-[(2S)-2-phenylpropyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is HGEOGQCJLDWETJ-WINIVTDRSA-N. The full InChI is InChI=1S/C27H31N3O3/c1-19(20-9-4-3-5-10-20)17-30-25(31)23-15-14-22(24-13-8-16-33-24)29(23)18-27(30,2)26(32)28-21-11-6-7-12-21/h3-5,8-10,13-16,19,21H,6-7,11-12,17-18H2,1-2H3,(H,28,32)/t19-,27+/m1/s1.
What are the key properties of (3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-[(2S)-2-phenylpropyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
(3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-[(2S)-2-phenylpropyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 445.56 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-[(2S)-2-phenylpropyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 92741250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).