1-N-[(4-chlorophenyl)methyl]-3-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

C20H21ClN4O2 — CID 109067536

IUPAC1-N-[(4-chlorophenyl)methyl]-3-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCC(C)CNC(=O)c1nc(C(=O)NCc2ccc(Cl)cc2)c2ccccn12
InChIInChI=1S/C20H21ClN4O2/c1-13(2)11-22-20(27)18-24-17(16-5-3-4-10-25(16)18)19(26)23-12-14-6-8-15(21)9-7-14/h3-10,13H,11-12H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyPUAIBCHADNBJJY-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.30
Rot. Bonds6

About 1-N-[(4-chlorophenyl)methyl]-3-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-[(4-chlorophenyl)methyl]-3-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109067536) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 1-N-[(4-chlorophenyl)methyl]-3-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[(4-chlorophenyl)methyl]-3-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109067536
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name1-N-[(4-chlorophenyl)methyl]-3-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCC(C)CNC(=O)c1nc(C(=O)NCc2ccc(Cl)cc2)c2ccccn12
InChIInChI=1S/C20H21ClN4O2/c1-13(2)11-22-20(27)18-24-17(16-5-3-4-10-25(16)18)19(26)23-12-14-6-8-15(21)9-7-14/h3-10,13H,11-12H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyPUAIBCHADNBJJY-UHFFFAOYSA-N
XLogP3.30
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[(4-chlorophenyl)methyl]-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070525
N-[(4-chlorophenyl)methyl]-3-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 110648131
3-N-[(2-methylphenyl)methyl]-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067399
N-[(4-chlorophenyl)methyl]-1-(morpholine-4-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109069288
1-N-[(4-chlorophenyl)methyl]-3-N-cyclopentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068281
1-N-butyl-3-N-[(4-chlorophenyl)methyl]-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070531
1-N-(3,4-difluorophenyl)-3-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067635
3-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067421
3-N-[(4-methylphenyl)methyl]-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070389
3-N-(2-methylpropyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067562
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110625372
3-N-[(4-methylphenyl)methyl]-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065877

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-chlorophenyl)methyl]-3-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-[(4-chlorophenyl)methyl]-3-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109067536) is 1-N-[(4-chlorophenyl)methyl]-3-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[(4-chlorophenyl)methyl]-3-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-[(4-chlorophenyl)methyl]-3-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is CC(C)CNC(=O)c1nc(C(=O)NCc2ccc(Cl)cc2)c2ccccn12.
What is the InChIKey of 1-N-[(4-chlorophenyl)methyl]-3-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is PUAIBCHADNBJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-13(2)11-22-20(27)18-24-17(16-5-3-4-10-25(16)18)19(26)23-12-14-6-8-15(21)9-7-14/h3-10,13H,11-12H2,1-2H3,(H,22,27)(H,23,26).
What are the key properties of 1-N-[(4-chlorophenyl)methyl]-3-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-[(4-chlorophenyl)methyl]-3-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 384.87 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-chlorophenyl)methyl]-3-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109067536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).