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

C30H36N6O2 — CID 129169211

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

8-cyclopropyl-3,3-dimethyl-6-[4-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-3-propan-2-ylpiperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 129169211) has the molecular formula C30H36N6O2 and a molecular weight of 512.66 g/mol. Its IUPAC name is 8-cyclopropyl-3,3-dimethyl-6-[4-(2-methylimidazo[1,2-a]pyridine-3-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-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-3-propan-2-ylpiperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
• PubChem CID: 129169211
• Molecular Formula: C30H36N6O2
• Molecular Weight: 512.66 g/mol
• Exact Mass: 512.29
• IUPAC Name: 8-cyclopropyl-3,3-dimethyl-6-[4-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-3-propan-2-ylpiperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
• SMILES: Cc1nc2ccccn2c1C(=O)N1CCN(c2nc(C3CC3)c3c(c2C#N)CC(C)(C)OC3)CC1C(C)C
• InChI: InChI=1S/C30H36N6O2/c1-18(2)24-16-34(12-13-35(24)29(37)27-19(3)32-25-8-6-7-11-36(25)27)28-22(15-31)21-14-30(4,5)38-17-23(21)26(33-28)20-9-10-20/h6-8,11,18,20,24H,9-10,12-14,16-17H2,1-5H3
• InChIKey: DIHDLPKBHUVWJW-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 86.76 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.66
LogP ≤ 5	4.63
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-(2-methylimidazo[1,2-a]pyridine-3-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-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-3-propan-2-ylpiperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 129169211) is 8-cyclopropyl-3,3-dimethyl-6-[4-(2-methylimidazo[1,2-a]pyridine-3-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-(2-methylimidazo[1,2-a]pyridine-3-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-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-3-propan-2-ylpiperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is Cc1nc2ccccn2c1C(=O)N1CCN(c2nc(C3CC3)c3c(c2C#N)CC(C)(C)OC3)CC1C(C)C.

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

The InChIKey is DIHDLPKBHUVWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N6O2/c1-18(2)24-16-34(12-13-35(24)29(37)27-19(3)32-25-8-6-7-11-36(25)27)28-22(15-31)21-14-30(4,5)38-17-23(21)26(33-28)20-9-10-20/h6-8,11,18,20,24H,9-10,12-14,16-17H2,1-5H3.

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

8-cyclopropyl-3,3-dimethyl-6-[4-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-3-propan-2-ylpiperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 512.66 g/mol, XLogP of 4.63, 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-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-3-propan-2-ylpiperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 129169211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).