6-[3-methyl-4-(5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile

C25H25N5O3 — CID 90282780

IUPAC6-[3-methyl-4-(5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
SMILESCc1oncc1C(=O)N1CCN(c2nc(-c3ccccc3)c3c(c2C#N)CCOC3)CC1C
InChIInChI=1S/C25H25N5O3/c1-16-14-29(9-10-30(16)25(31)21-13-27-33-17(21)2)24-20(12-26)19-8-11-32-15-22(19)23(28-24)18-6-4-3-5-7-18/h3-7,13,16H,8-11,14-15H2,1-2H3
InChIKeyJLOGWVNGRHMASN-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.34
Rot. Bonds3

About 6-[3-methyl-4-(5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile

6-[3-methyl-4-(5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 90282780) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is 6-[3-methyl-4-(5-methyl-1,2-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-(5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID90282780
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Name6-[3-methyl-4-(5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
SMILESCc1oncc1C(=O)N1CCN(c2nc(-c3ccccc3)c3c(c2C#N)CCOC3)CC1C
InChIInChI=1S/C25H25N5O3/c1-16-14-29(9-10-30(16)25(31)21-13-27-33-17(21)2)24-20(12-26)19-8-11-32-15-22(19)23(28-24)18-6-4-3-5-7-18/h3-7,13,16H,8-11,14-15H2,1-2H3
InChIKeyJLOGWVNGRHMASN-UHFFFAOYSA-N
XLogP3.34
TPSA95.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[3-methyl-4-(5-methyl-1,2-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

Related Compounds

ethyl 4-(5-cyano-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-1-(3-methoxypropanoyl)piperazine-2-carboxylate
CID 90282847
6-[(3R)-4-(1-benzothiophene-3-carbonyl)-3-methylpiperazin-1-yl]-8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CID 71477288
8-cyclohexyl-6-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CID 90283717
(2R)-4-(5-cyano-8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-ethyl-2-methylpiperazine-1-carboxamide
CID 71119197
4-(5-cyano-8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-ethyl-2-methylpiperazine-1-carboxamide
CID 71119202
8-cyclohexyl-6-[(3R)-4-[2-(3-methoxyphenyl)acetyl]-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CID 71119445
2-[(3S)-4-(furan-3-carbonyl)-3-methylpiperazin-1-yl]-4-phenyl-6-propan-2-ylpyridine-3-carbonitrile
CID 90301700
2-[(3R)-4-(furan-3-carbonyl)-3-methylpiperazin-1-yl]-4-phenyl-6-propan-2-ylpyridine-3-carbonitrile
CID 71119127
3,3-dimethyl-6-[(3R)-3-methyl-4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 90282908
2-[4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazin-1-yl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 29104954
8-cyclohexyl-6-[(3R)-3,4-dimethylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CID 141356751
2-[3-methyl-4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-5-(3-methylphenyl)-6-propan-2-ylpyridine-3-carbonitrile
CID 71118558

Frequently Asked Questions

What is the IUPAC name of 6-[3-methyl-4-(5-methyl-1,2-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-(5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (CID 90282780) is 6-[3-methyl-4-(5-methyl-1,2-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-(5-methyl-1,2-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-(5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is Cc1oncc1C(=O)N1CCN(c2nc(-c3ccccc3)c3c(c2C#N)CCOC3)CC1C.
What is the InChIKey of 6-[3-methyl-4-(5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is JLOGWVNGRHMASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-16-14-29(9-10-30(16)25(31)21-13-27-33-17(21)2)24-20(12-26)19-8-11-32-15-22(19)23(28-24)18-6-4-3-5-7-18/h3-7,13,16H,8-11,14-15H2,1-2H3.
What are the key properties of 6-[3-methyl-4-(5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
6-[3-methyl-4-(5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 443.51 g/mol, XLogP of 3.34, 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-(5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 90282780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).