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

C20H18N6O3 — CID 109077607

IUPAC1-N-(2-cyanophenyl)-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)Nc3ccccc3C#N)c3n2CCCC3)no1
InChIInChI=1S/C20H18N6O3/c1-12-10-16(25-29-12)23-20(28)18-24-17(15-8-4-5-9-26(15)18)19(27)22-14-7-3-2-6-13(14)11-21/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,22,27)(H,23,25,28)
InChIKeyLZWPTXUKFRGXRR-UHFFFAOYSA-N
MW390.40 g/mol
LogP2.89
Rot. Bonds4

About 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

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 (PubChem CID 109077607) has the molecular formula C20H18N6O3 and a molecular weight of 390.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-N-(2-cyanophenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109077607
Molecular FormulaC20H18N6O3
Molecular Weight390.40 g/mol
Exact Mass390.14
IUPAC Name1-N-(2-cyanophenyl)-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)Nc3ccccc3C#N)c3n2CCCC3)no1
InChIInChI=1S/C20H18N6O3/c1-12-10-16(25-29-12)23-20(28)18-24-17(15-8-4-5-9-26(15)18)19(27)22-14-7-3-2-6-13(14)11-21/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,22,27)(H,23,25,28)
InChIKeyLZWPTXUKFRGXRR-UHFFFAOYSA-N
XLogP2.89
TPSA125.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-N-(2-cyanophenyl)-3-N-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077505
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-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-(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-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075320
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-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
N-(2-cyanophenyl)-3-(4-methylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109074925
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-(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-(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
3-N-(2-cyanophenyl)-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide
CID 109109071

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(NC(=O)c2nc(C(=O)Nc3ccccc3C#N)c3n2CCCC3)no1.
What is the InChIKey of 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?
The InChIKey is LZWPTXUKFRGXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3/c1-12-10-16(25-29-12)23-20(28)18-24-17(15-8-4-5-9-26(15)18)19(27)22-14-7-3-2-6-13(14)11-21/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,22,27)(H,23,25,28).
What are the key properties of 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?
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 has a molecular weight of 390.40 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 109077607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).