8-cyclopropyl-6-[(3R)-3-ethyl-4-(furan-3-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

C25H30N4O3 — CID 90295100

About 8-cyclopropyl-6-[(3R)-3-ethyl-4-(furan-3-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

8-cyclopropyl-6-[(3R)-3-ethyl-4-(furan-3-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 90295100) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 8-cyclopropyl-6-[(3R)-3-ethyl-4-(furan-3-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

• Compound Name: 8-cyclopropyl-6-[(3R)-3-ethyl-4-(furan-3-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
• PubChem CID: 90295100
• Molecular Formula: C25H30N4O3
• Molecular Weight: 434.54 g/mol
• Exact Mass: 434.23
• IUPAC Name: 8-cyclopropyl-6-[(3R)-3-ethyl-4-(furan-3-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
• SMILES: CC[C@@H]1CN(c2nc(C3CC3)c3c(c2C#N)CC(C)(C)OC3)CCN1C(=O)c1ccoc1
• InChI: InChI=1S/C25H30N4O3/c1-4-18-13-28(8-9-29(18)24(30)17-7-10-31-14-17)23-20(12-26)19-11-25(2,3)32-15-21(19)22(27-23)16-5-6-16/h7,10,14,16,18H,4-6,8-9,11,13,15H2,1-3H3/t18-/m1/s1
• InChIKey: NKDWQLLWXYJIJI-GOSISDBHSA-N
• XLogP: 4.02
• TPSA: 82.60 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.54
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 8-cyclopropyl-6-[(3R)-3-ethyl-4-(furan-3-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 90295100) is 8-cyclopropyl-6-[(3R)-3-ethyl-4-(furan-3-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

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

The canonical SMILES for 8-cyclopropyl-6-[(3R)-3-ethyl-4-(furan-3-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CC[C@@H]1CN(c2nc(C3CC3)c3c(c2C#N)CC(C)(C)OC3)CCN1C(=O)c1ccoc1.

What is the InChIKey of 8-cyclopropyl-6-[(3R)-3-ethyl-4-(furan-3-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?

The InChIKey is NKDWQLLWXYJIJI-GOSISDBHSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-4-18-13-28(8-9-29(18)24(30)17-7-10-31-14-17)23-20(12-26)19-11-25(2,3)32-15-21(19)22(27-23)16-5-6-16/h7,10,14,16,18H,4-6,8-9,11,13,15H2,1-3H3/t18-/m1/s1.

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

8-cyclopropyl-6-[(3R)-3-ethyl-4-(furan-3-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 434.54 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-cyclopropyl-6-[(3R)-3-ethyl-4-(furan-3-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 90295100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).