3-[3-cyclopentyl-1-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-1-methylquinolin-4-one

C29H30N4O3 — CID 26223485

IUPAC3-[3-cyclopentyl-1-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-1-methylquinolin-4-one
SMILESCOc1ccc(-c2nc(C3CCCC3)n3c2CN(C(=O)c2cn(C)c4ccccc4c2=O)CC3)cc1
InChIInChI=1S/C29H30N4O3/c1-31-17-23(27(34)22-9-5-6-10-24(22)31)29(35)32-15-16-33-25(18-32)26(19-11-13-21(36-2)14-12-19)30-28(33)20-7-3-4-8-20/h5-6,9-14,17,20H,3-4,7-8,15-16,18H2,1-2H3
InChIKeyQLPCWCRRVAXZER-UHFFFAOYSA-N
MW482.58 g/mol
LogP4.72
Rot. Bonds4

About 3-[3-cyclopentyl-1-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-1-methylquinolin-4-one

3-[3-cyclopentyl-1-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-1-methylquinolin-4-one (PubChem CID 26223485) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is 3-[3-cyclopentyl-1-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-1-methylquinolin-4-one.

Molecular Properties

Compound Name3-[3-cyclopentyl-1-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-1-methylquinolin-4-one
PubChem CID26223485
Molecular FormulaC29H30N4O3
Molecular Weight482.58 g/mol
Exact Mass482.23
IUPAC Name3-[3-cyclopentyl-1-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-1-methylquinolin-4-one
SMILESCOc1ccc(-c2nc(C3CCCC3)n3c2CN(C(=O)c2cn(C)c4ccccc4c2=O)CC3)cc1
InChIInChI=1S/C29H30N4O3/c1-31-17-23(27(34)22-9-5-6-10-24(22)31)29(35)32-15-16-33-25(18-32)26(19-11-13-21(36-2)14-12-19)30-28(33)20-7-3-4-8-20/h5-6,9-14,17,20H,3-4,7-8,15-16,18H2,1-2H3
InChIKeyQLPCWCRRVAXZER-UHFFFAOYSA-N
XLogP4.72
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-cyclopentyl-1-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-1-methylquinolin-4-one?
The IUPAC name of 3-[3-cyclopentyl-1-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-1-methylquinolin-4-one (CID 26223485) is 3-[3-cyclopentyl-1-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-1-methylquinolin-4-one.
What is the SMILES notation for 3-[3-cyclopentyl-1-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-1-methylquinolin-4-one?
The canonical SMILES for 3-[3-cyclopentyl-1-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-1-methylquinolin-4-one is COc1ccc(-c2nc(C3CCCC3)n3c2CN(C(=O)c2cn(C)c4ccccc4c2=O)CC3)cc1.
What is the InChIKey of 3-[3-cyclopentyl-1-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-1-methylquinolin-4-one?
The InChIKey is QLPCWCRRVAXZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3/c1-31-17-23(27(34)22-9-5-6-10-24(22)31)29(35)32-15-16-33-25(18-32)26(19-11-13-21(36-2)14-12-19)30-28(33)20-7-3-4-8-20/h5-6,9-14,17,20H,3-4,7-8,15-16,18H2,1-2H3.
What are the key properties of 3-[3-cyclopentyl-1-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-1-methylquinolin-4-one?
3-[3-cyclopentyl-1-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-1-methylquinolin-4-one has a molecular weight of 482.58 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-cyclopentyl-1-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-1-methylquinolin-4-one is sourced from PubChem (CID 26223485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).