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

C23H26ClN5O3 — CID 53007510

IUPAC1-N-(3-chlorophenyl)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILESCC1(C(=O)NC2CCCC2)Cn2cnc(C(=O)Nc3cccc(Cl)c3)c2C(=O)N1C1CC1
InChIInChI=1S/C23H26ClN5O3/c1-23(22(32)27-15-6-2-3-7-15)12-28-13-25-18(19(28)21(31)29(23)17-9-10-17)20(30)26-16-8-4-5-14(24)11-16/h4-5,8,11,13,15,17H,2-3,6-7,9-10,12H2,1H3,(H,26,30)(H,27,32)
InChIKeyRDWZOJGXECYWPU-UHFFFAOYSA-N
MW455.95 g/mol
LogP3.22
Rot. Bonds5

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

1-N-(3-chlorophenyl)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 53007510) has the molecular formula C23H26ClN5O3 and a molecular weight of 455.95 g/mol. Its IUPAC name is 1-N-(3-chlorophenyl)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-chlorophenyl)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
PubChem CID53007510
Molecular FormulaC23H26ClN5O3
Molecular Weight455.95 g/mol
Exact Mass455.17
IUPAC Name1-N-(3-chlorophenyl)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILESCC1(C(=O)NC2CCCC2)Cn2cnc(C(=O)Nc3cccc(Cl)c3)c2C(=O)N1C1CC1
InChIInChI=1S/C23H26ClN5O3/c1-23(22(32)27-15-6-2-3-7-15)12-28-13-25-18(19(28)21(31)29(23)17-9-10-17)20(30)26-16-8-4-5-14(24)11-16/h4-5,8,11,13,15,17H,2-3,6-7,9-10,12H2,1H3,(H,26,30)(H,27,32)
InChIKeyRDWZOJGXECYWPU-UHFFFAOYSA-N
XLogP3.22
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.95
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(6S)-1-N-(3-chloro-4-methylphenyl)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072775
1-N-(3-chlorophenyl)-7-cyclopropyl-6-methyl-8-oxo-6-N-(3-propan-2-yloxypropyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53084280
6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-1-N-[4-(trifluoromethoxy)phenyl]-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53084237
(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
(6S)-6-N-[(2-chlorophenyl)methyl]-1-N-cyclooctyl-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95073016
methyl (6S)-7-[(3-chlorophenyl)methyl]-6-(cyclopentylcarbamoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92735015
(6R)-1-N-cyclohexyl-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072645
1-N-(4-acetylphenyl)-7-cyclopropyl-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53084072
7-cyclopropyl-1-N-(3,4-dimethylphenyl)-6-methyl-8-oxo-6-N-(3-propan-2-yloxypropyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 71686678
(6R)-7-cyclopropyl-6-methyl-1-N,6-N-bis[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072510
(6S)-1-N-[2-(4-chlorophenyl)ethyl]-7-cyclopropyl-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072497
1-N-benzyl-7-cyclopropyl-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53084322

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chlorophenyl)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The IUPAC name of 1-N-(3-chlorophenyl)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 53007510) is 1-N-(3-chlorophenyl)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.
What is the SMILES notation for 1-N-(3-chlorophenyl)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The canonical SMILES for 1-N-(3-chlorophenyl)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is CC1(C(=O)NC2CCCC2)Cn2cnc(C(=O)Nc3cccc(Cl)c3)c2C(=O)N1C1CC1.
What is the InChIKey of 1-N-(3-chlorophenyl)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The InChIKey is RDWZOJGXECYWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O3/c1-23(22(32)27-15-6-2-3-7-15)12-28-13-25-18(19(28)21(31)29(23)17-9-10-17)20(30)26-16-8-4-5-14(24)11-16/h4-5,8,11,13,15,17H,2-3,6-7,9-10,12H2,1H3,(H,26,30)(H,27,32).
What are the key properties of 1-N-(3-chlorophenyl)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
1-N-(3-chlorophenyl)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 455.95 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chlorophenyl)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 53007510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).