3-N-tert-butyl-1-N-(2-methyl-6-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C23H32N4O2 — CID 109076868

IUPAC3-N-tert-butyl-1-N-(2-methyl-6-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1nc(C(=O)NC(C)(C)C)n2c1CCCC2
InChIInChI=1S/C23H32N4O2/c1-14(2)16-11-9-10-15(3)18(16)25-21(28)19-17-12-7-8-13-27(17)20(24-19)22(29)26-23(4,5)6/h9-11,14H,7-8,12-13H2,1-6H3,(H,25,28)(H,26,29)
InChIKeyRJZANNLTAOPVRZ-UHFFFAOYSA-N
MW396.54 g/mol
LogP4.43
Rot. Bonds4

About 3-N-tert-butyl-1-N-(2-methyl-6-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-tert-butyl-1-N-(2-methyl-6-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109076868) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 3-N-tert-butyl-1-N-(2-methyl-6-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-tert-butyl-1-N-(2-methyl-6-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109076868
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name3-N-tert-butyl-1-N-(2-methyl-6-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1nc(C(=O)NC(C)(C)C)n2c1CCCC2
InChIInChI=1S/C23H32N4O2/c1-14(2)16-11-9-10-15(3)18(16)25-21(28)19-17-12-7-8-13-27(17)20(24-19)22(29)26-23(4,5)6/h9-11,14H,7-8,12-13H2,1-6H3,(H,25,28)(H,26,29)
InChIKeyRJZANNLTAOPVRZ-UHFFFAOYSA-N
XLogP4.43
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(2-methyl-6-propan-2-ylphenyl)-3-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073273
1-N-(2,6-dimethylphenyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072643
1-N-tert-butyl-3-N-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076793
1-N-(2,6-dimethylphenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077010
3-N-tert-butyl-1-N-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076227
1-N-tert-butyl-3-N-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076776
1-N-(2,6-dimethylphenyl)-3-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075123
1-N-(2,6-dimethylphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077570
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-(2-ethyl-6-methylphenyl)-1-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072184
1-N-(2-propan-2-ylphenyl)-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072340
3-N-tert-butyl-1-N-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074364

Frequently Asked Questions

What is the IUPAC name of 3-N-tert-butyl-1-N-(2-methyl-6-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-tert-butyl-1-N-(2-methyl-6-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109076868) is 3-N-tert-butyl-1-N-(2-methyl-6-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-tert-butyl-1-N-(2-methyl-6-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-tert-butyl-1-N-(2-methyl-6-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is Cc1cccc(C(C)C)c1NC(=O)c1nc(C(=O)NC(C)(C)C)n2c1CCCC2.
What is the InChIKey of 3-N-tert-butyl-1-N-(2-methyl-6-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is RJZANNLTAOPVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-14(2)16-11-9-10-15(3)18(16)25-21(28)19-17-12-7-8-13-27(17)20(24-19)22(29)26-23(4,5)6/h9-11,14H,7-8,12-13H2,1-6H3,(H,25,28)(H,26,29).
What are the key properties of 3-N-tert-butyl-1-N-(2-methyl-6-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-tert-butyl-1-N-(2-methyl-6-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 396.54 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-tert-butyl-1-N-(2-methyl-6-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109076868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).