1-N-cyclopropyl-3-N-(3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C20H24N4O2 — CID 109072798

IUPAC1-N-cyclopropyl-3-N-(3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)c2nc(C(=O)NC3CC3)c3n2CCCC3)c1
InChIInChI=1S/C20H24N4O2/c1-12-9-13(2)11-15(10-12)22-20(26)18-23-17(19(25)21-14-6-7-14)16-5-3-4-8-24(16)18/h9-11,14H,3-8H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyLTHQBNLQEIIOJE-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.98
Rot. Bonds4

About 1-N-cyclopropyl-3-N-(3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-cyclopropyl-3-N-(3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109072798) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-N-cyclopropyl-3-N-(3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclopropyl-3-N-(3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109072798
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-N-cyclopropyl-3-N-(3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)c2nc(C(=O)NC3CC3)c3n2CCCC3)c1
InChIInChI=1S/C20H24N4O2/c1-12-9-13(2)11-15(10-12)22-20(26)18-23-17(19(25)21-14-6-7-14)16-5-3-4-8-24(16)18/h9-11,14H,3-8H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyLTHQBNLQEIIOJE-UHFFFAOYSA-N
XLogP2.98
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109074268
3-N-cyclopentyl-1-N-(3,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074474
3-N-cycloheptyl-1-N-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074720
3-N-cyclohexyl-1-N-(2,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074793
1-N-(3,5-dimethylphenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075581
3-N-tert-butyl-1-N-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074364
3-N-cyclopentyl-1-N-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074492
1-N-butyl-3-N-(3,5-dimethylphenyl)-1-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077160
3-N-cyclohexyl-1-N-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074806
3-N-cyclopentyl-1-N-[4-(dimethylamino)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074498
1-N-cyclopentyl-3-N-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074344
1-N-tert-butyl-3-N-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076776

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-3-N-(3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-cyclopropyl-3-N-(3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109072798) is 1-N-cyclopropyl-3-N-(3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-cyclopropyl-3-N-(3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-cyclopropyl-3-N-(3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is Cc1cc(C)cc(NC(=O)c2nc(C(=O)NC3CC3)c3n2CCCC3)c1.
What is the InChIKey of 1-N-cyclopropyl-3-N-(3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is LTHQBNLQEIIOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-12-9-13(2)11-15(10-12)22-20(26)18-23-17(19(25)21-14-6-7-14)16-5-3-4-8-24(16)18/h9-11,14H,3-8H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of 1-N-cyclopropyl-3-N-(3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-cyclopropyl-3-N-(3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-3-N-(3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109072798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).