1-N-tert-butyl-3-N-quinolin-8-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide

C22H21N5O2 — CID 109071122

IUPAC1-N-tert-butyl-3-N-quinolin-8-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCC(C)(C)NC(=O)c1nc(C(=O)Nc2cccc3cccnc23)n2ccccc12
InChIInChI=1S/C22H21N5O2/c1-22(2,3)26-20(28)18-16-11-4-5-13-27(16)19(25-18)21(29)24-15-10-6-8-14-9-7-12-23-17(14)15/h4-13H,1-3H3,(H,24,29)(H,26,28)
InChIKeyHIKNDJYZQNAERT-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.66
Rot. Bonds3

About 1-N-tert-butyl-3-N-quinolin-8-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-tert-butyl-3-N-quinolin-8-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109071122) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 1-N-tert-butyl-3-N-quinolin-8-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-tert-butyl-3-N-quinolin-8-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109071122
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name1-N-tert-butyl-3-N-quinolin-8-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCC(C)(C)NC(=O)c1nc(C(=O)Nc2cccc3cccnc23)n2ccccc12
InChIInChI=1S/C22H21N5O2/c1-22(2,3)26-20(28)18-16-11-4-5-13-27(16)19(25-18)21(29)24-15-10-6-8-14-9-7-12-23-17(14)15/h4-13H,1-3H3,(H,24,29)(H,26,28)
InChIKeyHIKNDJYZQNAERT-UHFFFAOYSA-N
XLogP3.66
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-propyl-1-N-quinolin-8-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066145
1-N-tert-butyl-3-N-(4-ethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071079
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,3-N-diethylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070965
1-N-butyl-3-N-tert-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067169
1-N-tert-butyl-3-N-methyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071069
1-N-tert-butyl-3-N-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070357
1-N-(2,4-dimethylphenyl)-3-N-(2-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071890
1-N-(3,5-dimethylphenyl)-3-N-(2-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071893
3-N-(2-fluorophenyl)-1-N-(pyridin-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070597
3-methyl-N-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110649549
3-N-(2-fluorophenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067464

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-3-N-quinolin-8-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-tert-butyl-3-N-quinolin-8-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109071122) is 1-N-tert-butyl-3-N-quinolin-8-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-tert-butyl-3-N-quinolin-8-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-tert-butyl-3-N-quinolin-8-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide is CC(C)(C)NC(=O)c1nc(C(=O)Nc2cccc3cccnc23)n2ccccc12.
What is the InChIKey of 1-N-tert-butyl-3-N-quinolin-8-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is HIKNDJYZQNAERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-22(2,3)26-20(28)18-16-11-4-5-13-27(16)19(25-18)21(29)24-15-10-6-8-14-9-7-12-23-17(14)15/h4-13H,1-3H3,(H,24,29)(H,26,28).
What are the key properties of 1-N-tert-butyl-3-N-quinolin-8-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-tert-butyl-3-N-quinolin-8-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-3-N-quinolin-8-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109071122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).