3-N-tert-butyl-1-N-(2,5-dimethoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H24N4O4 — CID 109071186

IUPAC3-N-tert-butyl-1-N-(2,5-dimethoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2nc(C(=O)NC(C)(C)C)n3ccccc23)c1
InChIInChI=1S/C21H24N4O4/c1-21(2,3)24-20(27)18-23-17(15-8-6-7-11-25(15)18)19(26)22-14-12-13(28-4)9-10-16(14)29-5/h6-12H,1-5H3,(H,22,26)(H,24,27)
InChIKeyKPKYXRKIJDXSQX-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.13
Rot. Bonds5

About 3-N-tert-butyl-1-N-(2,5-dimethoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-tert-butyl-1-N-(2,5-dimethoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109071186) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 3-N-tert-butyl-1-N-(2,5-dimethoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-tert-butyl-1-N-(2,5-dimethoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109071186
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name3-N-tert-butyl-1-N-(2,5-dimethoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2nc(C(=O)NC(C)(C)C)n3ccccc23)c1
InChIInChI=1S/C21H24N4O4/c1-21(2,3)24-20(27)18-23-17(15-8-6-7-11-25(15)18)19(26)22-14-12-13(28-4)9-10-16(14)29-5/h6-12H,1-5H3,(H,22,26)(H,24,27)
InChIKeyKPKYXRKIJDXSQX-UHFFFAOYSA-N
XLogP3.13
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-N-(2-methoxy-5-methylphenyl)-3-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066436
3-N-tert-butyl-1-N-[(2-methoxyphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070533
1-N-(2-methoxy-5-methylphenyl)-3-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069254
3-N-cyclopropyl-1-N-(2-methoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066749
1-N-cyclopropyl-3-N-(2-methoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066589
1-N-butyl-3-N-tert-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067169
N-(2,5-dimethoxyphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46364976
1-N-tert-butyl-3-N-quinolin-8-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071122
1-N-(3-chloro-4-methoxyphenyl)-3-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066429
3-N-(4-methoxyphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067477
3-N-(4-methoxyphenyl)-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065963
1-N-tert-butyl-3-N-cycloheptylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071055

Frequently Asked Questions

What is the IUPAC name of 3-N-tert-butyl-1-N-(2,5-dimethoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-tert-butyl-1-N-(2,5-dimethoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109071186) is 3-N-tert-butyl-1-N-(2,5-dimethoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-tert-butyl-1-N-(2,5-dimethoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-tert-butyl-1-N-(2,5-dimethoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is COc1ccc(OC)c(NC(=O)c2nc(C(=O)NC(C)(C)C)n3ccccc23)c1.
What is the InChIKey of 3-N-tert-butyl-1-N-(2,5-dimethoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is KPKYXRKIJDXSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-21(2,3)24-20(27)18-23-17(15-8-6-7-11-25(15)18)19(26)22-14-12-13(28-4)9-10-16(14)29-5/h6-12H,1-5H3,(H,22,26)(H,24,27).
What are the key properties of 3-N-tert-butyl-1-N-(2,5-dimethoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-tert-butyl-1-N-(2,5-dimethoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 396.45 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-tert-butyl-1-N-(2,5-dimethoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109071186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).