3,3-dimethyl-6-[(3R)-3-methyl-4-(4-methyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

C24H31N5O3 — CID 90282694

About 3,3-dimethyl-6-[(3R)-3-methyl-4-(4-methyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

3,3-dimethyl-6-[(3R)-3-methyl-4-(4-methyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 90282694) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is 3,3-dimethyl-6-[(3R)-3-methyl-4-(4-methyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

• Compound Name: 3,3-dimethyl-6-[(3R)-3-methyl-4-(4-methyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
• PubChem CID: 90282694
• Molecular Formula: C24H31N5O3
• Molecular Weight: 437.54 g/mol
• Exact Mass: 437.24
• IUPAC Name: 3,3-dimethyl-6-[(3R)-3-methyl-4-(4-methyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
• SMILES: Cc1ncoc1C(=O)N1CCN(c2nc(C(C)C)c3c(c2C#N)CC(C)(C)OC3)C[C@H]1C
• InChI: InChI=1S/C24H31N5O3/c1-14(2)20-19-12-32-24(5,6)9-17(19)18(10-25)22(27-20)28-7-8-29(15(3)11-28)23(30)21-16(4)26-13-31-21/h13-15H,7-9,11-12H2,1-6H3/t15-/m1/s1
• InChIKey: KXHXAXQPNOTNBD-OAHLLOKOSA-N
• XLogP: 3.58
• TPSA: 95.49 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.54
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-[(3R)-3-methyl-4-(4-methyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?

The IUPAC name of 3,3-dimethyl-6-[(3R)-3-methyl-4-(4-methyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 90282694) is 3,3-dimethyl-6-[(3R)-3-methyl-4-(4-methyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

What is the SMILES notation for 3,3-dimethyl-6-[(3R)-3-methyl-4-(4-methyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?

The canonical SMILES for 3,3-dimethyl-6-[(3R)-3-methyl-4-(4-methyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is Cc1ncoc1C(=O)N1CCN(c2nc(C(C)C)c3c(c2C#N)CC(C)(C)OC3)C[C@H]1C.

What is the InChIKey of 3,3-dimethyl-6-[(3R)-3-methyl-4-(4-methyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?

The InChIKey is KXHXAXQPNOTNBD-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-14(2)20-19-12-32-24(5,6)9-17(19)18(10-25)22(27-20)28-7-8-29(15(3)11-28)23(30)21-16(4)26-13-31-21/h13-15H,7-9,11-12H2,1-6H3/t15-/m1/s1.

What are the key properties of 3,3-dimethyl-6-[(3R)-3-methyl-4-(4-methyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?

3,3-dimethyl-6-[(3R)-3-methyl-4-(4-methyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 437.54 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-dimethyl-6-[(3R)-3-methyl-4-(4-methyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 90282694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).