1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-(4-fluorophenyl)sulfonylurea

C26H34FN5O4S — CID 56592253

About 1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-(4-fluorophenyl)sulfonylurea

1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-(4-fluorophenyl)sulfonylurea (PubChem CID 56592253) has the molecular formula C26H34FN5O4S and a molecular weight of 531.65 g/mol. Its IUPAC name is 1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-(4-fluorophenyl)sulfonylurea.

Molecular Properties

• Compound Name: 1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-(4-fluorophenyl)sulfonylurea
• PubChem CID: 56592253
• Molecular Formula: C26H34FN5O4S
• Molecular Weight: 531.65 g/mol
• Exact Mass: 531.23
• IUPAC Name: 1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-(4-fluorophenyl)sulfonylurea
• SMILES: O=C(NC1CCC(CCN2CCN(c3nccc4c3OCC4)CC2)CC1)NS(=O)(=O)c1ccc(F)cc1
• InChI: InChI=1S/C26H34FN5O4S/c27-21-3-7-23(8-4-21)37(34,35)30-26(33)29-22-5-1-19(2-6-22)10-13-31-14-16-32(17-15-31)25-24-20(9-12-28-25)11-18-36-24/h3-4,7-9,12,19,22H,1-2,5-6,10-11,13-18H2,(H2,29,30,33)
• InChIKey: VYFGEFDFNOQEOB-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 103.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.65
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-(4-fluorophenyl)sulfonylurea?

The IUPAC name of 1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-(4-fluorophenyl)sulfonylurea (CID 56592253) is 1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-(4-fluorophenyl)sulfonylurea.

What is the SMILES notation for 1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-(4-fluorophenyl)sulfonylurea?

The canonical SMILES for 1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-(4-fluorophenyl)sulfonylurea is O=C(NC1CCC(CCN2CCN(c3nccc4c3OCC4)CC2)CC1)NS(=O)(=O)c1ccc(F)cc1.

What is the InChIKey of 1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-(4-fluorophenyl)sulfonylurea?

The InChIKey is VYFGEFDFNOQEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN5O4S/c27-21-3-7-23(8-4-21)37(34,35)30-26(33)29-22-5-1-19(2-6-22)10-13-31-14-16-32(17-15-31)25-24-20(9-12-28-25)11-18-36-24/h3-4,7-9,12,19,22H,1-2,5-6,10-11,13-18H2,(H2,29,30,33).

What are the key properties of 1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-(4-fluorophenyl)sulfonylurea?

1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-(4-fluorophenyl)sulfonylurea has a molecular weight of 531.65 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-(4-fluorophenyl)sulfonylurea is sourced from PubChem (CID 56592253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).