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

About 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

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 (PubChem CID 53084280) has the molecular formula C24H30ClN5O4 and a molecular weight of 487.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name	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
PubChem CID	53084280
Molecular Formula	C24H30ClN5O4
Molecular Weight	487.99 g/mol
Exact Mass	487.20
IUPAC Name	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
SMILES	CC(C)OCCCNC(=O)C1(C)Cn2cnc(C(=O)Nc3cccc(Cl)c3)c2C(=O)N1C1CC1
InChI	InChI=1S/C24H30ClN5O4/c1-15(2)34-11-5-10-26-23(33)24(3)13-29-14-27-19(20(29)22(32)30(24)18-8-9-18)21(31)28-17-7-4-6-16(25)12-17/h4,6-7,12,14-15,18H,5,8-11,13H2,1-3H3,(H,26,33)(H,28,31)
InChIKey	ZAXLPAWGPATHJS-UHFFFAOYSA-N
XLogP	3.10
TPSA	105.56 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	9
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.99
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)OCCCNC(=O)C1(C)Cn2cnc(C(=O)Nc3cccc(Cl)c3)c2C(=O)N1C1CC1.

What is the InChIKey of 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?

The InChIKey is ZAXLPAWGPATHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN5O4/c1-15(2)34-11-5-10-26-23(33)24(3)13-29-14-27-19(20(29)22(32)30(24)18-8-9-18)21(31)28-17-7-4-6-16(25)12-17/h4,6-7,12,14-15,18H,5,8-11,13H2,1-3H3,(H,26,33)(H,28,31).

What are the key properties of 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?

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 has a molecular weight of 487.99 g/mol, XLogP of 3.10, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 53084280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).