3-N-(2-chloro-4,6-dimethylphenyl)-1-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide

C20H21ClN4O2 — CID 109066272

IUPAC3-N-(2-chloro-4,6-dimethylphenyl)-1-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCc1cc(C)c(NC(=O)c2nc(C(=O)NC(C)C)c3ccccn23)c(Cl)c1
InChIInChI=1S/C20H21ClN4O2/c1-11(2)22-19(26)17-15-7-5-6-8-25(15)18(23-17)20(27)24-16-13(4)9-12(3)10-14(16)21/h5-11H,1-4H3,(H,22,26)(H,24,27)
InChIKeyQHZRFCXBBSVOOY-UHFFFAOYSA-N
MW384.87 g/mol
LogP4.00
Rot. Bonds4

About 3-N-(2-chloro-4,6-dimethylphenyl)-1-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-(2-chloro-4,6-dimethylphenyl)-1-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109066272) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 3-N-(2-chloro-4,6-dimethylphenyl)-1-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-chloro-4,6-dimethylphenyl)-1-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109066272
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name3-N-(2-chloro-4,6-dimethylphenyl)-1-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCc1cc(C)c(NC(=O)c2nc(C(=O)NC(C)C)c3ccccn23)c(Cl)c1
InChIInChI=1S/C20H21ClN4O2/c1-11(2)22-19(26)17-15-7-5-6-8-25(15)18(23-17)20(27)24-16-13(4)9-12(3)10-14(16)21/h5-11H,1-4H3,(H,22,26)(H,24,27)
InChIKeyQHZRFCXBBSVOOY-UHFFFAOYSA-N
XLogP4.00
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(2-chloro-4,6-dimethylphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067474
N-(2-chloro-4,6-dimethylphenyl)-3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109068119
1-N-(2-chloro-4,6-dimethylphenyl)-3-N,3-N-diethylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071010
3-N-(3-chloro-2-methylphenyl)-1-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066267
3-N-butan-2-yl-1-N-(2,4,6-trimethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067845
1-N-(2,5-dichlorophenyl)-3-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066464
1-N-(4-methylphenyl)-3-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066397
1-N-(3-chloro-4-methoxyphenyl)-3-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066429
3-N-(4-ethylphenyl)-1-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066252
1-N-(2-methoxy-5-methylphenyl)-3-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066436
1-N-butan-2-yl-3-N-(2-ethyl-6-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067714
1-N-(2,4-dimethylphenyl)-3-N-(2-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071890

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-chloro-4,6-dimethylphenyl)-1-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-(2-chloro-4,6-dimethylphenyl)-1-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109066272) is 3-N-(2-chloro-4,6-dimethylphenyl)-1-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2-chloro-4,6-dimethylphenyl)-1-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2-chloro-4,6-dimethylphenyl)-1-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide is Cc1cc(C)c(NC(=O)c2nc(C(=O)NC(C)C)c3ccccn23)c(Cl)c1.
What is the InChIKey of 3-N-(2-chloro-4,6-dimethylphenyl)-1-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is QHZRFCXBBSVOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-11(2)22-19(26)17-15-7-5-6-8-25(15)18(23-17)20(27)24-16-13(4)9-12(3)10-14(16)21/h5-11H,1-4H3,(H,22,26)(H,24,27).
What are the key properties of 3-N-(2-chloro-4,6-dimethylphenyl)-1-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-(2-chloro-4,6-dimethylphenyl)-1-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 384.87 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-chloro-4,6-dimethylphenyl)-1-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109066272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).