methyl 3-[[3-(cyclopropylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate

C20H18N4O4 — CID 109066768

IUPACmethyl 3-[[3-(cyclopropylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2nc(C(=O)NC3CC3)n3ccccc23)c1
InChIInChI=1S/C20H18N4O4/c1-28-20(27)12-5-4-6-14(11-12)22-18(25)16-15-7-2-3-10-24(15)17(23-16)19(26)21-13-8-9-13/h2-7,10-11,13H,8-9H2,1H3,(H,21,26)(H,22,25)
InChIKeyQKHQXJVVWKPDHG-UHFFFAOYSA-N
MW378.39 g/mol
LogP2.27
Rot. Bonds5

About methyl 3-[[3-(cyclopropylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate

methyl 3-[[3-(cyclopropylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate (PubChem CID 109066768) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is methyl 3-[[3-(cyclopropylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[3-(cyclopropylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
PubChem CID109066768
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC Namemethyl 3-[[3-(cyclopropylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2nc(C(=O)NC3CC3)n3ccccc23)c1
InChIInChI=1S/C20H18N4O4/c1-28-20(27)12-5-4-6-14(11-12)22-18(25)16-15-7-2-3-10-24(15)17(23-16)19(26)21-13-8-9-13/h2-7,10-11,13H,8-9H2,1H3,(H,21,26)(H,22,25)
InChIKeyQKHQXJVVWKPDHG-UHFFFAOYSA-N
XLogP2.27
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[3-(cyclopropylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate with MolForge

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Related Compounds

3-N-cyclopentyl-1-N-(3-methoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068336
3-N-cyclohexyl-1-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068661
methyl 3-[(3-methylimidazo[1,5-a]pyridine-1-carbonyl)amino]benzoate
CID 110650614
3-N-cyclopropyl-1-N-(2-methoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066749
1-N-(3-chloro-4-fluorophenyl)-3-N-cyclopropylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066744
3-N-cyclopropyl-1-N-[4-(diethylamino)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066771
methyl 3-[[3-(cyclopropylcarbamoyl)benzoyl]amino]benzoate
CID 109050811
3-N-(1,1-dioxothiolan-3-yl)-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070870
3-N-(4-tert-butylphenyl)-1-N-cyclopropylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066574
1-N-cyclohexyl-3-N-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068614
3-N-cyclohexyl-1-N-cyclopentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068157
methyl 4-[[3-(2-methoxyethylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
CID 109069080

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-(cyclopropylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate?
The IUPAC name of methyl 3-[[3-(cyclopropylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate (CID 109066768) is methyl 3-[[3-(cyclopropylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[3-(cyclopropylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate?
The canonical SMILES for methyl 3-[[3-(cyclopropylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate is COC(=O)c1cccc(NC(=O)c2nc(C(=O)NC3CC3)n3ccccc23)c1.
What is the InChIKey of methyl 3-[[3-(cyclopropylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate?
The InChIKey is QKHQXJVVWKPDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c1-28-20(27)12-5-4-6-14(11-12)22-18(25)16-15-7-2-3-10-24(15)17(23-16)19(26)21-13-8-9-13/h2-7,10-11,13H,8-9H2,1H3,(H,21,26)(H,22,25).
What are the key properties of methyl 3-[[3-(cyclopropylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate?
methyl 3-[[3-(cyclopropylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate has a molecular weight of 378.39 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-(cyclopropylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate is sourced from PubChem (CID 109066768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).