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

C20H21ClN4O2 — CID 109071095

IUPAC1-N-tert-butyl-3-N-(5-chloro-2-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1nc(C(=O)NC(C)(C)C)c2ccccn12
InChIInChI=1S/C20H21ClN4O2/c1-12-8-9-13(21)11-14(12)22-19(27)17-23-16(18(26)24-20(2,3)4)15-7-5-6-10-25(15)17/h5-11H,1-4H3,(H,22,27)(H,24,26)
InChIKeyYWHGOCCCMRFJMX-UHFFFAOYSA-N
MW384.87 g/mol
LogP4.08
Rot. Bonds3

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

1-N-tert-butyl-3-N-(5-chloro-2-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109071095) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 1-N-tert-butyl-3-N-(5-chloro-2-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-tert-butyl-3-N-(5-chloro-2-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109071095
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name1-N-tert-butyl-3-N-(5-chloro-2-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1nc(C(=O)NC(C)(C)C)c2ccccn12
InChIInChI=1S/C20H21ClN4O2/c1-12-8-9-13(21)11-14(12)22-19(27)17-23-16(18(26)24-20(2,3)4)15-7-5-6-10-25(15)17/h5-11H,1-4H3,(H,22,27)(H,24,26)
InChIKeyYWHGOCCCMRFJMX-UHFFFAOYSA-N
XLogP4.08
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-tert-butyl-3-N-quinolin-8-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071122
1-N-(2,5-dichlorophenyl)-3-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066464
1-N-(4-chloro-2-methylphenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071442
1-N-tert-butyl-3-N-[4-(dimethylamino)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071118
1-N-tert-butyl-3-N-(5-chloro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076804
1-N-(2,4-dichlorophenyl)-3-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066150
1-N-tert-butyl-3-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070790
1-N-tert-butyl-3-N-cycloheptylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071055
3-N-tert-butyl-1-N-(2,5-dimethoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071186
1-N-butyl-3-N-tert-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067169
3-N-butyl-1-N-(2,5-dimethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067318
3-N-(2-methylphenyl)-1-N-[(2-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070314

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-3-N-(5-chloro-2-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-tert-butyl-3-N-(5-chloro-2-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109071095) is 1-N-tert-butyl-3-N-(5-chloro-2-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-tert-butyl-3-N-(5-chloro-2-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-tert-butyl-3-N-(5-chloro-2-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is Cc1ccc(Cl)cc1NC(=O)c1nc(C(=O)NC(C)(C)C)c2ccccn12.
What is the InChIKey of 1-N-tert-butyl-3-N-(5-chloro-2-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is YWHGOCCCMRFJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-12-8-9-13(21)11-14(12)22-19(27)17-23-16(18(26)24-20(2,3)4)15-7-5-6-10-25(15)17/h5-11H,1-4H3,(H,22,27)(H,24,26).
What are the key properties of 1-N-tert-butyl-3-N-(5-chloro-2-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-tert-butyl-3-N-(5-chloro-2-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 384.87 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-3-N-(5-chloro-2-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109071095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).