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

C21H23N5O3 — CID 109076255

IUPAC3-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
SMILESCc1cccc(CNC(=O)c2nc(C(=O)Nc3cc(C)on3)n3c2CCCC3)c1
InChIInChI=1S/C21H23N5O3/c1-13-6-5-7-15(10-13)12-22-20(27)18-16-8-3-4-9-26(16)19(24-18)21(28)23-17-11-14(2)29-25-17/h5-7,10-11H,3-4,8-9,12H2,1-2H3,(H,22,27)(H,23,25,28)
InChIKeyJTHUNRKZXYJYBO-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.01
Rot. Bonds5

About 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

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 (PubChem CID 109076255) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID109076255
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name3-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
SMILESCc1cccc(CNC(=O)c2nc(C(=O)Nc3cc(C)on3)n3c2CCCC3)c1
InChIInChI=1S/C21H23N5O3/c1-13-6-5-7-15(10-13)12-22-20(27)18-16-8-3-4-9-26(16)19(24-18)21(28)23-17-11-14(2)29-25-17/h5-7,10-11H,3-4,8-9,12H2,1-2H3,(H,22,27)(H,23,25,28)
InChIKeyJTHUNRKZXYJYBO-UHFFFAOYSA-N
XLogP3.01
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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-[(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
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
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
3-N-[(3-methylphenyl)methyl]-1-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072122
1-N-cyclopentyl-3-N-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074344
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-(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
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
1-N-(5-methyl-1,2-oxazol-3-yl)-3-N,3-N-dipropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077375
3-N-benzyl-1-N-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076217

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccc(CNC(=O)c2nc(C(=O)Nc3cc(C)on3)n3c2CCCC3)c1.
What is the InChIKey of 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?
The InChIKey is JTHUNRKZXYJYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-13-6-5-7-15(10-13)12-22-20(27)18-16-8-3-4-9-26(16)19(24-18)21(28)23-17-11-14(2)29-25-17/h5-7,10-11H,3-4,8-9,12H2,1-2H3,(H,22,27)(H,23,25,28).
What are the key properties of 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?
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 has a molecular weight of 393.45 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 109076255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).