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

C25H31N5O3 — CID 130273043

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

8-cyclopropyl-3,3-dimethyl-6-[4-(1,3-oxazole-4-carbonyl)-3-propan-2-ylpiperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 130273043) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is 8-cyclopropyl-3,3-dimethyl-6-[4-(1,3-oxazole-4-carbonyl)-3-propan-2-ylpiperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

• Compound Name: 8-cyclopropyl-3,3-dimethyl-6-[4-(1,3-oxazole-4-carbonyl)-3-propan-2-ylpiperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
• PubChem CID: 130273043
• Molecular Formula: C25H31N5O3
• Molecular Weight: 449.56 g/mol
• Exact Mass: 449.24
• IUPAC Name: 8-cyclopropyl-3,3-dimethyl-6-[4-(1,3-oxazole-4-carbonyl)-3-propan-2-ylpiperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
• SMILES: CC(C)C1CN(c2nc(C3CC3)c3c(c2C#N)CC(C)(C)OC3)CCN1C(=O)c1cocn1
• InChI: InChI=1S/C25H31N5O3/c1-15(2)21-11-29(7-8-30(21)24(31)20-13-32-14-27-20)23-18(10-26)17-9-25(3,4)33-12-19(17)22(28-23)16-5-6-16/h13-16,21H,5-9,11-12H2,1-4H3
• InChIKey: RFNIHLJOHLSCIN-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 95.49 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.56
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 8-cyclopropyl-3,3-dimethyl-6-[4-(1,3-oxazole-4-carbonyl)-3-propan-2-ylpiperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 130273043) is 8-cyclopropyl-3,3-dimethyl-6-[4-(1,3-oxazole-4-carbonyl)-3-propan-2-ylpiperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

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

The canonical SMILES for 8-cyclopropyl-3,3-dimethyl-6-[4-(1,3-oxazole-4-carbonyl)-3-propan-2-ylpiperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CC(C)C1CN(c2nc(C3CC3)c3c(c2C#N)CC(C)(C)OC3)CCN1C(=O)c1cocn1.

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

The InChIKey is RFNIHLJOHLSCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-15(2)21-11-29(7-8-30(21)24(31)20-13-32-14-27-20)23-18(10-26)17-9-25(3,4)33-12-19(17)22(28-23)16-5-6-16/h13-16,21H,5-9,11-12H2,1-4H3.

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

8-cyclopropyl-3,3-dimethyl-6-[4-(1,3-oxazole-4-carbonyl)-3-propan-2-ylpiperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 449.56 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-cyclopropyl-3,3-dimethyl-6-[4-(1,3-oxazole-4-carbonyl)-3-propan-2-ylpiperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 130273043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).