6-N-cyclopentyl-1-N-[(3-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

C25H33N5O4 — CID 53084026

IUPAC6-N-cyclopentyl-1-N-[(3-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILESCCCN1C(=O)c2c(C(=O)NCc3cccc(OC)c3)ncn2CC1(C)C(=O)NC1CCCC1
InChIInChI=1S/C25H33N5O4/c1-4-12-30-23(32)21-20(22(31)26-14-17-8-7-11-19(13-17)34-3)27-16-29(21)15-25(30,2)24(33)28-18-9-5-6-10-18/h7-8,11,13,16,18H,4-6,9-10,12,14-15H2,1-3H3,(H,26,31)(H,28,33)
InChIKeyWRSPVIDEVXVWQB-UHFFFAOYSA-N
MW467.57 g/mol
LogP2.51
Rot. Bonds8

About 6-N-cyclopentyl-1-N-[(3-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

6-N-cyclopentyl-1-N-[(3-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 53084026) has the molecular formula C25H33N5O4 and a molecular weight of 467.57 g/mol. Its IUPAC name is 6-N-cyclopentyl-1-N-[(3-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

Compound Name6-N-cyclopentyl-1-N-[(3-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
PubChem CID53084026
Molecular FormulaC25H33N5O4
Molecular Weight467.57 g/mol
Exact Mass467.25
IUPAC Name6-N-cyclopentyl-1-N-[(3-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILESCCCN1C(=O)c2c(C(=O)NCc3cccc(OC)c3)ncn2CC1(C)C(=O)NC1CCCC1
InChIInChI=1S/C25H33N5O4/c1-4-12-30-23(32)21-20(22(31)26-14-17-8-7-11-19(13-17)34-3)27-16-29(21)15-25(30,2)24(33)28-18-9-5-6-10-18/h7-8,11,13,16,18H,4-6,9-10,12,14-15H2,1-3H3,(H,26,31)(H,28,33)
InChIKeyWRSPVIDEVXVWQB-UHFFFAOYSA-N
XLogP2.51
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(6S)-6-N-cyclopentyl-1-N-[(3-fluorophenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 93058868
(6S)-6-N-cyclopentyl-7-ethyl-1-N-[(3-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 93058815
(6R)-6-N-cyclopentyl-1-N-[(3,4-dimethoxyphenyl)methyl]-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 93058810
(6S)-6-N-cyclopentyl-1-N-[(2,5-dimethoxyphenyl)methyl]-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 93058827
6-N-benzyl-1-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 50792441
(6R)-1-N-[(2-chlorophenyl)methyl]-6-N-cyclopentyl-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 93058839
6-N-benzyl-1-N-[(2,5-dimethoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53083863
(6S)-6-methyl-1-N-[(3-methylphenyl)methyl]-6-N-[(4-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072150
(6R)-6-N-cyclopentyl-7-ethyl-1-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 93058802
6-N-benzyl-6-methyl-1-N-[(3-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53083856
(6R)-6-methyl-1-N,6-N-bis[(4-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072137
methyl 6-(cyclopentylcarbamoyl)-6-methyl-8-oxo-7-(2-phenylethyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 50758291

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopentyl-1-N-[(3-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The IUPAC name of 6-N-cyclopentyl-1-N-[(3-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 53084026) is 6-N-cyclopentyl-1-N-[(3-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.
What is the SMILES notation for 6-N-cyclopentyl-1-N-[(3-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The canonical SMILES for 6-N-cyclopentyl-1-N-[(3-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is CCCN1C(=O)c2c(C(=O)NCc3cccc(OC)c3)ncn2CC1(C)C(=O)NC1CCCC1.
What is the InChIKey of 6-N-cyclopentyl-1-N-[(3-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The InChIKey is WRSPVIDEVXVWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O4/c1-4-12-30-23(32)21-20(22(31)26-14-17-8-7-11-19(13-17)34-3)27-16-29(21)15-25(30,2)24(33)28-18-9-5-6-10-18/h7-8,11,13,16,18H,4-6,9-10,12,14-15H2,1-3H3,(H,26,31)(H,28,33).
What are the key properties of 6-N-cyclopentyl-1-N-[(3-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
6-N-cyclopentyl-1-N-[(3-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 467.57 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopentyl-1-N-[(3-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 53084026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).