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

C20H25ClN4O2 — CID 109073796

IUPAC1-N-(3-chloro-2-methylphenyl)-3-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1nc(C(=O)NCC(C)C)n2c1CCCC2
InChIInChI=1S/C20H25ClN4O2/c1-12(2)11-22-20(27)18-24-17(16-9-4-5-10-25(16)18)19(26)23-15-8-6-7-14(21)13(15)3/h6-8,12H,4-5,9-11H2,1-3H3,(H,22,27)(H,23,26)
InChIKeyDUIJVSRJXOSVEP-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.82
Rot. Bonds5

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

1-N-(3-chloro-2-methylphenyl)-3-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109073796) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is 1-N-(3-chloro-2-methylphenyl)-3-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-chloro-2-methylphenyl)-3-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109073796
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC Name1-N-(3-chloro-2-methylphenyl)-3-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1nc(C(=O)NCC(C)C)n2c1CCCC2
InChIInChI=1S/C20H25ClN4O2/c1-12(2)11-22-20(27)18-24-17(16-9-4-5-10-25(16)18)19(26)23-15-8-6-7-14(21)13(15)3/h6-8,12H,4-5,9-11H2,1-3H3,(H,22,27)(H,23,26)
InChIKeyDUIJVSRJXOSVEP-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-(3-chloro-2-methylphenyl)-3-N,3-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076721
3-N-(5-chloro-2-methylphenyl)-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073674
methyl 2-[[1-(2-methylpropylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carbonyl]amino]benzoate
CID 109073690
3-N-(2-chlorophenyl)-1-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072504
3-N-(4-methylphenyl)-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073647
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-(2-chlorophenyl)-3-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075138
1-N-(2-chlorophenyl)-3-N-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075308
3-(azepane-1-carbonyl)-N-(2,3-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109077413
1-N-(3-methylbutyl)-3-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073760
1-N-(2,6-dimethylphenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077010
1-N-(2-propan-2-ylphenyl)-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072340

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chloro-2-methylphenyl)-3-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-(3-chloro-2-methylphenyl)-3-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109073796) is 1-N-(3-chloro-2-methylphenyl)-3-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(3-chloro-2-methylphenyl)-3-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(3-chloro-2-methylphenyl)-3-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is Cc1c(Cl)cccc1NC(=O)c1nc(C(=O)NCC(C)C)n2c1CCCC2.
What is the InChIKey of 1-N-(3-chloro-2-methylphenyl)-3-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is DUIJVSRJXOSVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O2/c1-12(2)11-22-20(27)18-24-17(16-9-4-5-10-25(16)18)19(26)23-15-8-6-7-14(21)13(15)3/h6-8,12H,4-5,9-11H2,1-3H3,(H,22,27)(H,23,26).
What are the key properties of 1-N-(3-chloro-2-methylphenyl)-3-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-(3-chloro-2-methylphenyl)-3-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 1-N-(3-chloro-2-methylphenyl)-3-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109073796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).