N-cycloheptyl-7-[(2-ethoxyphenyl)methyl]-1-(2-hydroxypropanoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-6-carboxamide

C27H36N4O5 — CID 71219735

IUPACN-cycloheptyl-7-[(2-ethoxyphenyl)methyl]-1-(2-hydroxypropanoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-6-carboxamide
SMILESCCOc1ccccc1CN1C(=O)c2c(C(=O)C(C)O)ncn2CC1(C)C(=O)NC1CCCCCC1
InChIInChI=1S/C27H36N4O5/c1-4-36-21-14-10-9-11-19(21)15-31-25(34)23-22(24(33)18(2)32)28-17-30(23)16-27(31,3)26(35)29-20-12-7-5-6-8-13-20/h9-11,14,17-18,20,32H,4-8,12-13,15-16H2,1-3H3,(H,29,35)
InChIKeyQOCWUCUTLAZBEW-UHFFFAOYSA-N
MW496.61 g/mol
LogP3.10
Rot. Bonds8

About N-cycloheptyl-7-[(2-ethoxyphenyl)methyl]-1-(2-hydroxypropanoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-6-carboxamide

N-cycloheptyl-7-[(2-ethoxyphenyl)methyl]-1-(2-hydroxypropanoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-6-carboxamide (PubChem CID 71219735) has the molecular formula C27H36N4O5 and a molecular weight of 496.61 g/mol. Its IUPAC name is N-cycloheptyl-7-[(2-ethoxyphenyl)methyl]-1-(2-hydroxypropanoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-7-[(2-ethoxyphenyl)methyl]-1-(2-hydroxypropanoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-6-carboxamide
PubChem CID71219735
Molecular FormulaC27H36N4O5
Molecular Weight496.61 g/mol
Exact Mass496.27
IUPAC NameN-cycloheptyl-7-[(2-ethoxyphenyl)methyl]-1-(2-hydroxypropanoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-6-carboxamide
SMILESCCOc1ccccc1CN1C(=O)c2c(C(=O)C(C)O)ncn2CC1(C)C(=O)NC1CCCCCC1
InChIInChI=1S/C27H36N4O5/c1-4-36-21-14-10-9-11-19(21)15-31-25(34)23-22(24(33)18(2)32)28-17-30(23)16-27(31,3)26(35)29-20-12-7-5-6-8-13-20/h9-11,14,17-18,20,32H,4-8,12-13,15-16H2,1-3H3,(H,29,35)
InChIKeyQOCWUCUTLAZBEW-UHFFFAOYSA-N
XLogP3.10
TPSA113.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 6-(cyclohexylcarbamoyl)-6-methyl-7-[(2-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 50758251
methyl (6R)-6-(cyclopentylcarbamoyl)-7-[(2-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92742987
methyl (6S)-7-[(2-chlorophenyl)methyl]-6-(cycloheptylcarbamoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92743064
methyl 6-(cyclohexylcarbamoyl)-7-[(4-ethylphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 50758253
methyl (6R)-7-[(2-ethoxyphenyl)methyl]-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891950
methyl (6R)-6-(cyclopentylcarbamoyl)-7-[(2,4-dimethoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92742993
N-cyclooctyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522328
methyl (6R)-6-(cyclohexylcarbamoyl)-7-[2-(4-ethoxyphenyl)ethyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92743053
methyl 6-(cycloheptylcarbamoyl)-7-[2-(4-ethoxyphenyl)ethyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 11656206
methyl (6R)-6-(cyclohexylcarbamoyl)-6-methyl-8-oxo-7-(thiophen-2-ylmethyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92743039
methyl 6-(cyclopentylcarbamoyl)-6-methyl-8-oxo-7-(2-phenylethyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 50758291
(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 N-cycloheptyl-7-[(2-ethoxyphenyl)methyl]-1-(2-hydroxypropanoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of N-cycloheptyl-7-[(2-ethoxyphenyl)methyl]-1-(2-hydroxypropanoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-6-carboxamide (CID 71219735) is N-cycloheptyl-7-[(2-ethoxyphenyl)methyl]-1-(2-hydroxypropanoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-cycloheptyl-7-[(2-ethoxyphenyl)methyl]-1-(2-hydroxypropanoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for N-cycloheptyl-7-[(2-ethoxyphenyl)methyl]-1-(2-hydroxypropanoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-6-carboxamide is CCOc1ccccc1CN1C(=O)c2c(C(=O)C(C)O)ncn2CC1(C)C(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-7-[(2-ethoxyphenyl)methyl]-1-(2-hydroxypropanoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is QOCWUCUTLAZBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O5/c1-4-36-21-14-10-9-11-19(21)15-31-25(34)23-22(24(33)18(2)32)28-17-30(23)16-27(31,3)26(35)29-20-12-7-5-6-8-13-20/h9-11,14,17-18,20,32H,4-8,12-13,15-16H2,1-3H3,(H,29,35).
What are the key properties of N-cycloheptyl-7-[(2-ethoxyphenyl)methyl]-1-(2-hydroxypropanoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-6-carboxamide?
N-cycloheptyl-7-[(2-ethoxyphenyl)methyl]-1-(2-hydroxypropanoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 496.61 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-7-[(2-ethoxyphenyl)methyl]-1-(2-hydroxypropanoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 71219735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).