[1-carbamoyl-4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl] 5-morpholin-4-ylpyrazine-2-carboxylate

C29H39N7O5 — CID 123421286

About [1-carbamoyl-4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl] 5-morpholin-4-ylpyrazine-2-carboxylate

[1-carbamoyl-4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl] 5-morpholin-4-ylpyrazine-2-carboxylate (PubChem CID 123421286) has the molecular formula C29H39N7O5 and a molecular weight of 565.68 g/mol. Its IUPAC name is [1-carbamoyl-4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl] 5-morpholin-4-ylpyrazine-2-carboxylate.

Molecular Properties

• Compound Name: [1-carbamoyl-4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl] 5-morpholin-4-ylpyrazine-2-carboxylate
• PubChem CID: 123421286
• Molecular Formula: C29H39N7O5
• Molecular Weight: 565.68 g/mol
• Exact Mass: 565.30
• IUPAC Name: [1-carbamoyl-4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl] 5-morpholin-4-ylpyrazine-2-carboxylate
• SMILES: NC(=O)C1(OC(=O)c2cnc(N3CCOCC3)cn2)CCC(CCN2CCN(c3nccc4c3OCC4)CC2)CC1
• InChI: InChI=1S/C29H39N7O5/c30-28(38)29(41-27(37)23-19-33-24(20-32-23)35-14-17-39-18-15-35)6-1-21(2-7-29)4-9-34-10-12-36(13-11-34)26-25-22(3-8-31-26)5-16-40-25/h3,8,19-21H,1-2,4-7,9-18H2,(H2,30,38)
• InChIKey: QIMRUSWUWXZVKX-UHFFFAOYSA-N
• XLogP: 1.43
• TPSA: 136.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.68
LogP ≤ 5	1.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of [1-carbamoyl-4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl] 5-morpholin-4-ylpyrazine-2-carboxylate?

The IUPAC name of [1-carbamoyl-4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl] 5-morpholin-4-ylpyrazine-2-carboxylate (CID 123421286) is [1-carbamoyl-4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl] 5-morpholin-4-ylpyrazine-2-carboxylate.

What is the SMILES notation for [1-carbamoyl-4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl] 5-morpholin-4-ylpyrazine-2-carboxylate?

The canonical SMILES for [1-carbamoyl-4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl] 5-morpholin-4-ylpyrazine-2-carboxylate is NC(=O)C1(OC(=O)c2cnc(N3CCOCC3)cn2)CCC(CCN2CCN(c3nccc4c3OCC4)CC2)CC1.

What is the InChIKey of [1-carbamoyl-4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl] 5-morpholin-4-ylpyrazine-2-carboxylate?

The InChIKey is QIMRUSWUWXZVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N7O5/c30-28(38)29(41-27(37)23-19-33-24(20-32-23)35-14-17-39-18-15-35)6-1-21(2-7-29)4-9-34-10-12-36(13-11-34)26-25-22(3-8-31-26)5-16-40-25/h3,8,19-21H,1-2,4-7,9-18H2,(H2,30,38).

What are the key properties of [1-carbamoyl-4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl] 5-morpholin-4-ylpyrazine-2-carboxylate?

[1-carbamoyl-4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl] 5-morpholin-4-ylpyrazine-2-carboxylate has a molecular weight of 565.68 g/mol, XLogP of 1.43, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [1-carbamoyl-4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl] 5-morpholin-4-ylpyrazine-2-carboxylate is sourced from PubChem (CID 123421286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).