1-N-(3,4-dimethylphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H23N5O3 — CID 109077566

IUPAC1-N-(3,4-dimethylphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCc1cc(NC(=O)c2nc(C(=O)Nc3ccc(C)c(C)c3)c3n2CCCC3)no1
InChIInChI=1S/C21H23N5O3/c1-12-7-8-15(10-13(12)2)22-20(27)18-16-6-4-5-9-26(16)19(24-18)21(28)23-17-11-14(3)29-25-17/h7-8,10-11H,4-6,9H2,1-3H3,(H,22,27)(H,23,25,28)
InChIKeyIZYJZMAXKQNAFU-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.64
Rot. Bonds4

About 1-N-(3,4-dimethylphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-(3,4-dimethylphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109077566) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 1-N-(3,4-dimethylphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(3,4-dimethylphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109077566
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name1-N-(3,4-dimethylphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCc1cc(NC(=O)c2nc(C(=O)Nc3ccc(C)c(C)c3)c3n2CCCC3)no1
InChIInChI=1S/C21H23N5O3/c1-12-7-8-15(10-13(12)2)22-20(27)18-16-6-4-5-9-26(16)19(24-18)21(28)23-17-11-14(3)29-25-17/h7-8,10-11H,4-6,9H2,1-3H3,(H,22,27)(H,23,25,28)
InChIKeyIZYJZMAXKQNAFU-UHFFFAOYSA-N
XLogP3.64
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-(3-fluorophenyl)-1-N-(5-methyl-1,2-oxazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077606
1-N-(2,6-dimethylphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077570
3-N-cyclopentyl-1-N-(3,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074474
1-(azepane-1-carbonyl)-N-(3,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109077385
3-(azepane-1-carbonyl)-N-(3,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109077410
1-N-benzyl-3-N-(5-methyl-1,2-oxazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076200
N-(3,4-dimethylphenyl)-3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109075458
1-N-(5-methyl-1,2-oxazol-3-yl)-3-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076526
1-N-(5-methyl-1,2-oxazol-3-yl)-3-N-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076546
1-N-(2-cyanophenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077607
3-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076255
1-N-[(2-fluorophenyl)methyl]-3-N-(5-methyl-1,2-oxazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076334

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,4-dimethylphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-(3,4-dimethylphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109077566) is 1-N-(3,4-dimethylphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(3,4-dimethylphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(3,4-dimethylphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is Cc1cc(NC(=O)c2nc(C(=O)Nc3ccc(C)c(C)c3)c3n2CCCC3)no1.
What is the InChIKey of 1-N-(3,4-dimethylphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is IZYJZMAXKQNAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-12-7-8-15(10-13(12)2)22-20(27)18-16-6-4-5-9-26(16)19(24-18)21(28)23-17-11-14(3)29-25-17/h7-8,10-11H,4-6,9H2,1-3H3,(H,22,27)(H,23,25,28).
What are the key properties of 1-N-(3,4-dimethylphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-(3,4-dimethylphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 393.45 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,4-dimethylphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109077566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).