methyl 2-[(4-fluorophenyl)methylcarbamoylamino]-5-[1-(3-methoxycarbonylphenyl)imidazo[1,5-a]pyridine-3-carbonyl]benzoate

C32H25FN4O6 — CID 66653412

IUPACmethyl 2-[(4-fluorophenyl)methylcarbamoylamino]-5-[1-(3-methoxycarbonylphenyl)imidazo[1,5-a]pyridine-3-carbonyl]benzoate
SMILESCOC(=O)c1cccc(-c2nc(C(=O)c3ccc(NC(=O)NCc4ccc(F)cc4)c(C(=O)OC)c3)n3ccccc23)c1
InChIInChI=1S/C32H25FN4O6/c1-42-30(39)22-7-5-6-20(16-22)27-26-8-3-4-15-37(26)29(36-27)28(38)21-11-14-25(24(17-21)31(40)43-2)35-32(41)34-18-19-9-12-23(33)13-10-19/h3-17H,18H2,1-2H3,(H2,34,35,41)
InChIKeyYBQWMYLCWKYYPQ-UHFFFAOYSA-N
MW580.57 g/mol
LogP5.27
Rot. Bonds8

About methyl 2-[(4-fluorophenyl)methylcarbamoylamino]-5-[1-(3-methoxycarbonylphenyl)imidazo[1,5-a]pyridine-3-carbonyl]benzoate

methyl 2-[(4-fluorophenyl)methylcarbamoylamino]-5-[1-(3-methoxycarbonylphenyl)imidazo[1,5-a]pyridine-3-carbonyl]benzoate (PubChem CID 66653412) has the molecular formula C32H25FN4O6 and a molecular weight of 580.57 g/mol. Its IUPAC name is methyl 2-[(4-fluorophenyl)methylcarbamoylamino]-5-[1-(3-methoxycarbonylphenyl)imidazo[1,5-a]pyridine-3-carbonyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(4-fluorophenyl)methylcarbamoylamino]-5-[1-(3-methoxycarbonylphenyl)imidazo[1,5-a]pyridine-3-carbonyl]benzoate
PubChem CID66653412
Molecular FormulaC32H25FN4O6
Molecular Weight580.57 g/mol
Exact Mass580.18
IUPAC Namemethyl 2-[(4-fluorophenyl)methylcarbamoylamino]-5-[1-(3-methoxycarbonylphenyl)imidazo[1,5-a]pyridine-3-carbonyl]benzoate
SMILESCOC(=O)c1cccc(-c2nc(C(=O)c3ccc(NC(=O)NCc4ccc(F)cc4)c(C(=O)OC)c3)n3ccccc23)c1
InChIInChI=1S/C32H25FN4O6/c1-42-30(39)22-7-5-6-20(16-22)27-26-8-3-4-15-37(26)29(36-27)28(38)21-11-14-25(24(17-21)31(40)43-2)35-32(41)34-18-19-9-12-23(33)13-10-19/h3-17H,18H2,1-2H3,(H2,34,35,41)
InChIKeyYBQWMYLCWKYYPQ-UHFFFAOYSA-N
XLogP5.27
TPSA128.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.57
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 2-[(4-fluorophenyl)methylcarbamoylamino]-5-[1-(3-methoxycarbonylphenyl)imidazo[1,5-a]pyridine-3-carbonyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-fluorophenyl)methylcarbamoylamino]-5-[1-(3-methoxycarbonylphenyl)imidazo[1,5-a]pyridine-3-carbonyl]benzoate?
The IUPAC name of methyl 2-[(4-fluorophenyl)methylcarbamoylamino]-5-[1-(3-methoxycarbonylphenyl)imidazo[1,5-a]pyridine-3-carbonyl]benzoate (CID 66653412) is methyl 2-[(4-fluorophenyl)methylcarbamoylamino]-5-[1-(3-methoxycarbonylphenyl)imidazo[1,5-a]pyridine-3-carbonyl]benzoate.
What is the SMILES notation for methyl 2-[(4-fluorophenyl)methylcarbamoylamino]-5-[1-(3-methoxycarbonylphenyl)imidazo[1,5-a]pyridine-3-carbonyl]benzoate?
The canonical SMILES for methyl 2-[(4-fluorophenyl)methylcarbamoylamino]-5-[1-(3-methoxycarbonylphenyl)imidazo[1,5-a]pyridine-3-carbonyl]benzoate is COC(=O)c1cccc(-c2nc(C(=O)c3ccc(NC(=O)NCc4ccc(F)cc4)c(C(=O)OC)c3)n3ccccc23)c1.
What is the InChIKey of methyl 2-[(4-fluorophenyl)methylcarbamoylamino]-5-[1-(3-methoxycarbonylphenyl)imidazo[1,5-a]pyridine-3-carbonyl]benzoate?
The InChIKey is YBQWMYLCWKYYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25FN4O6/c1-42-30(39)22-7-5-6-20(16-22)27-26-8-3-4-15-37(26)29(36-27)28(38)21-11-14-25(24(17-21)31(40)43-2)35-32(41)34-18-19-9-12-23(33)13-10-19/h3-17H,18H2,1-2H3,(H2,34,35,41).
What are the key properties of methyl 2-[(4-fluorophenyl)methylcarbamoylamino]-5-[1-(3-methoxycarbonylphenyl)imidazo[1,5-a]pyridine-3-carbonyl]benzoate?
methyl 2-[(4-fluorophenyl)methylcarbamoylamino]-5-[1-(3-methoxycarbonylphenyl)imidazo[1,5-a]pyridine-3-carbonyl]benzoate has a molecular weight of 580.57 g/mol, XLogP of 5.27, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-fluorophenyl)methylcarbamoylamino]-5-[1-(3-methoxycarbonylphenyl)imidazo[1,5-a]pyridine-3-carbonyl]benzoate is sourced from PubChem (CID 66653412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).