6-N-cyclopentyl-1-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

C26H35N5O5 — CID 53028930

IUPAC6-N-cyclopentyl-1-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILESCCN1C(=O)c2c(C(=O)NCCc3ccc(OC)c(OC)c3)ncn2CC1(C)C(=O)NC1CCCC1
InChIInChI=1S/C26H35N5O5/c1-5-31-24(33)22-21(23(32)27-13-12-17-10-11-19(35-3)20(14-17)36-4)28-16-30(22)15-26(31,2)25(34)29-18-8-6-7-9-18/h10-11,14,16,18H,5-9,12-13,15H2,1-4H3,(H,27,32)(H,29,34)
InChIKeyPQOPYIPFQWZBED-UHFFFAOYSA-N
MW497.60 g/mol
LogP2.17
Rot. Bonds9

About 6-N-cyclopentyl-1-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

6-N-cyclopentyl-1-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 53028930) has the molecular formula C26H35N5O5 and a molecular weight of 497.60 g/mol. Its IUPAC name is 6-N-cyclopentyl-1-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

Compound Name6-N-cyclopentyl-1-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
PubChem CID53028930
Molecular FormulaC26H35N5O5
Molecular Weight497.60 g/mol
Exact Mass497.26
IUPAC Name6-N-cyclopentyl-1-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILESCCN1C(=O)c2c(C(=O)NCCc3ccc(OC)c(OC)c3)ncn2CC1(C)C(=O)NC1CCCC1
InChIInChI=1S/C26H35N5O5/c1-5-31-24(33)22-21(23(32)27-13-12-17-10-11-19(35-3)20(14-17)36-4)28-16-30(22)15-26(31,2)25(34)29-18-8-6-7-9-18/h10-11,14,16,18H,5-9,12-13,15H2,1-4H3,(H,27,32)(H,29,34)
InChIKeyPQOPYIPFQWZBED-UHFFFAOYSA-N
XLogP2.17
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-N-cyclopentyl-1-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide with MolForge

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Related Compounds

(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
(6R)-1-N-[(5-bromo-2-methoxyphenyl)methyl]-6-N-cyclopentyl-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 98318050
(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-7-cyclopropyl-6-methyl-1-N-[2-(4-methylphenyl)ethyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072786
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
methyl 6-(cyclopentylcarbamoyl)-6-methyl-8-oxo-7-(2-phenylethyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 50758291
(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
methyl (6R)-6-(cyclohexylcarbamoyl)-7-[2-(4-ethoxyphenyl)ethyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92743053
methyl 7-(3-chloro-4-methoxyphenyl)-6-(cyclopentylcarbamoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 46277633
methyl 6-(cyclohexylcarbamoyl)-7-(3-methoxypropyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 20916712
(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

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopentyl-1-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The IUPAC name of 6-N-cyclopentyl-1-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 53028930) is 6-N-cyclopentyl-1-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.
What is the SMILES notation for 6-N-cyclopentyl-1-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The canonical SMILES for 6-N-cyclopentyl-1-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is CCN1C(=O)c2c(C(=O)NCCc3ccc(OC)c(OC)c3)ncn2CC1(C)C(=O)NC1CCCC1.
What is the InChIKey of 6-N-cyclopentyl-1-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The InChIKey is PQOPYIPFQWZBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O5/c1-5-31-24(33)22-21(23(32)27-13-12-17-10-11-19(35-3)20(14-17)36-4)28-16-30(22)15-26(31,2)25(34)29-18-8-6-7-9-18/h10-11,14,16,18H,5-9,12-13,15H2,1-4H3,(H,27,32)(H,29,34).
What are the key properties of 6-N-cyclopentyl-1-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
6-N-cyclopentyl-1-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 497.60 g/mol, XLogP of 2.17, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopentyl-1-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 53028930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).