6-[3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile

C24H23N5O3 — CID 71118629

IUPAC6-[3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC1CN(c2nc(-c3ccccc3)c3c(c2C#N)CCOC3)CCN1C(=O)c1cocn1
InChIInChI=1S/C24H23N5O3/c1-16-12-28(8-9-29(16)24(30)21-14-32-15-26-21)23-19(11-25)18-7-10-31-13-20(18)22(27-23)17-5-3-2-4-6-17/h2-6,14-16H,7-10,12-13H2,1H3
InChIKeyOZFBQTOAPYIZFE-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.03
Rot. Bonds3

About 6-[3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile

6-[3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 71118629) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 6-[3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-[3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID71118629
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name6-[3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC1CN(c2nc(-c3ccccc3)c3c(c2C#N)CCOC3)CCN1C(=O)c1cocn1
InChIInChI=1S/C24H23N5O3/c1-16-12-28(8-9-29(16)24(30)21-14-32-15-26-21)23-19(11-25)18-7-10-31-13-20(18)22(27-23)17-5-3-2-4-6-17/h2-6,14-16H,7-10,12-13H2,1H3
InChIKeyOZFBQTOAPYIZFE-UHFFFAOYSA-N
XLogP3.03
TPSA95.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 6-[3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (CID 71118629) is 6-[3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 6-[3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 6-[3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is CC1CN(c2nc(-c3ccccc3)c3c(c2C#N)CCOC3)CCN1C(=O)c1cocn1.
What is the InChIKey of 6-[3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is OZFBQTOAPYIZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-16-12-28(8-9-29(16)24(30)21-14-32-15-26-21)23-19(11-25)18-7-10-31-13-20(18)22(27-23)17-5-3-2-4-6-17/h2-6,14-16H,7-10,12-13H2,1H3.
What are the key properties of 6-[3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
6-[3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 429.48 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 71118629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).