3-N-(5-chloro-2-methylphenyl)-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C20H25ClN4O2 — CID 109073674

IUPAC3-N-(5-chloro-2-methylphenyl)-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1nc(C(=O)NCC(C)C)c2n1CCCC2
InChIInChI=1S/C20H25ClN4O2/c1-12(2)11-22-19(26)17-16-6-4-5-9-25(16)18(24-17)20(27)23-15-10-14(21)8-7-13(15)3/h7-8,10,12H,4-6,9,11H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyVFHXOURCTRUSLQ-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.82
Rot. Bonds5

About 3-N-(5-chloro-2-methylphenyl)-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-(5-chloro-2-methylphenyl)-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109073674) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is 3-N-(5-chloro-2-methylphenyl)-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(5-chloro-2-methylphenyl)-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109073674
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC Name3-N-(5-chloro-2-methylphenyl)-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1nc(C(=O)NCC(C)C)c2n1CCCC2
InChIInChI=1S/C20H25ClN4O2/c1-12(2)11-22-19(26)17-16-6-4-5-9-25(16)18(24-17)20(27)23-15-10-14(21)8-7-13(15)3/h7-8,10,12H,4-6,9,11H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyVFHXOURCTRUSLQ-UHFFFAOYSA-N
XLogP3.82
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-butan-2-yl-3-N-(5-chloro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073920
1-N-butyl-3-N-(5-chloro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073426
1-N-tert-butyl-3-N-(5-chloro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076804
3-N-(3-chloro-4-fluorophenyl)-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073677
1-N-(3-chloro-2-methylphenyl)-3-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073796
3-N-(4-methylphenyl)-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073647
1-N-(2,5-dimethylphenyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072640
1-N-(4-chloro-2-methylphenyl)-3-N,3-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076723
methyl 2-[[1-(2-methylpropylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carbonyl]amino]benzoate
CID 109073690
1-N-(5-chloro-2-methoxyphenyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072668
3-N-[(4-methylphenyl)methyl]-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073607
1-N-butan-2-yl-3-N-(3-chloro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073922

Frequently Asked Questions

What is the IUPAC name of 3-N-(5-chloro-2-methylphenyl)-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-(5-chloro-2-methylphenyl)-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109073674) is 3-N-(5-chloro-2-methylphenyl)-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(5-chloro-2-methylphenyl)-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(5-chloro-2-methylphenyl)-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is Cc1ccc(Cl)cc1NC(=O)c1nc(C(=O)NCC(C)C)c2n1CCCC2.
What is the InChIKey of 3-N-(5-chloro-2-methylphenyl)-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is VFHXOURCTRUSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O2/c1-12(2)11-22-19(26)17-16-6-4-5-9-25(16)18(24-17)20(27)23-15-10-14(21)8-7-13(15)3/h7-8,10,12H,4-6,9,11H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of 3-N-(5-chloro-2-methylphenyl)-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-(5-chloro-2-methylphenyl)-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 388.90 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5-chloro-2-methylphenyl)-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109073674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).