N-(2-chloro-4,6-dimethylphenyl)-3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide

C21H21ClN4O2 — CID 109068119

IUPACN-(2-chloro-4,6-dimethylphenyl)-3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCc1cc(C)c(NC(=O)c2nc(C(=O)N3CCCC3)n3ccccc23)c(Cl)c1
InChIInChI=1S/C21H21ClN4O2/c1-13-11-14(2)17(15(22)12-13)24-20(27)18-16-7-3-4-10-26(16)19(23-18)21(28)25-8-5-6-9-25/h3-4,7,10-12H,5-6,8-9H2,1-2H3,(H,24,27)
InChIKeyLVQRJYJNQIOMPF-UHFFFAOYSA-N
MW396.88 g/mol
LogP4.09
Rot. Bonds3

About N-(2-chloro-4,6-dimethylphenyl)-3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide

N-(2-chloro-4,6-dimethylphenyl)-3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 109068119) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID109068119
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCc1cc(C)c(NC(=O)c2nc(C(=O)N3CCCC3)n3ccccc23)c(Cl)c1
InChIInChI=1S/C21H21ClN4O2/c1-13-11-14(2)17(15(22)12-13)24-20(27)18-16-7-3-4-10-26(16)19(23-18)21(28)25-8-5-6-9-25/h3-4,7,10-12H,5-6,8-9H2,1-2H3,(H,24,27)
InChIKeyLVQRJYJNQIOMPF-UHFFFAOYSA-N
XLogP4.09
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(2-chloro-4,6-dimethylphenyl)-1-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066272
3-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109071760
1-N-(2-chloro-4,6-dimethylphenyl)-3-N,3-N-diethylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071010
3-(azepane-1-carbonyl)-N-(2-chlorophenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109071771
3-N-(2-chloro-4,6-dimethylphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067474
N-(5-methyl-1,2-oxazol-3-yl)-3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109068154
N-(3,5-dimethylphenyl)-3-(3-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109071641
3-(azepane-1-carbonyl)-N-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109071776
N-tert-butyl-3-(piperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109068496
3-N-butan-2-yl-1-N-(2,4,6-trimethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067845
methyl 2-[[3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
CID 109068137
N-(3,4-dimethylphenyl)-1-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109067964

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide (CID 109068119) is N-(2-chloro-4,6-dimethylphenyl)-3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide is Cc1cc(C)c(NC(=O)c2nc(C(=O)N3CCCC3)n3ccccc23)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is LVQRJYJNQIOMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-13-11-14(2)17(15(22)12-13)24-20(27)18-16-7-3-4-10-26(16)19(23-18)21(28)25-8-5-6-9-25/h3-4,7,10-12H,5-6,8-9H2,1-2H3,(H,24,27).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide?
N-(2-chloro-4,6-dimethylphenyl)-3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 109068119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).