N-[3-(4,4-difluoropiperidin-1-yl)cyclohexyl]-2-[2-(6-methoxynaphthalen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]propanamide

C32H40F2N4O4S — CID 123184809

About N-[3-(4,4-difluoropiperidin-1-yl)cyclohexyl]-2-[2-(6-methoxynaphthalen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]propanamide

N-[3-(4,4-difluoropiperidin-1-yl)cyclohexyl]-2-[2-(6-methoxynaphthalen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]propanamide (PubChem CID 123184809) has the molecular formula C32H40F2N4O4S and a molecular weight of 614.76 g/mol. Its IUPAC name is N-[3-(4,4-difluoropiperidin-1-yl)cyclohexyl]-2-[2-(6-methoxynaphthalen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]propanamide.

Molecular Properties

• Compound Name: N-[3-(4,4-difluoropiperidin-1-yl)cyclohexyl]-2-[2-(6-methoxynaphthalen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]propanamide
• PubChem CID: 123184809
• Molecular Formula: C32H40F2N4O4S
• Molecular Weight: 614.76 g/mol
• Exact Mass: 614.27
• IUPAC Name: N-[3-(4,4-difluoropiperidin-1-yl)cyclohexyl]-2-[2-(6-methoxynaphthalen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]propanamide
• SMILES: COc1ccc2cc(S(=O)(=O)N3CCn4cccc4C3C(C)C(=O)NC3CCCC(N4CCC(F)(F)CC4)C3)ccc2c1
• InChI: InChI=1S/C32H40F2N4O4S/c1-22(31(39)35-25-5-3-6-26(21-25)36-15-12-32(33,34)13-16-36)30-29-7-4-14-37(29)17-18-38(30)43(40,41)28-11-9-23-19-27(42-2)10-8-24(23)20-28/h4,7-11,14,19-20,22,25-26,30H,3,5-6,12-13,15-18,21H2,1-2H3,(H,35,39)
• InChIKey: MVUONKYXSSEGHR-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 83.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.76
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,4-difluoropiperidin-1-yl)cyclohexyl]-2-[2-(6-methoxynaphthalen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]propanamide?

The IUPAC name of N-[3-(4,4-difluoropiperidin-1-yl)cyclohexyl]-2-[2-(6-methoxynaphthalen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]propanamide (CID 123184809) is N-[3-(4,4-difluoropiperidin-1-yl)cyclohexyl]-2-[2-(6-methoxynaphthalen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]propanamide.

What is the SMILES notation for N-[3-(4,4-difluoropiperidin-1-yl)cyclohexyl]-2-[2-(6-methoxynaphthalen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]propanamide?

The canonical SMILES for N-[3-(4,4-difluoropiperidin-1-yl)cyclohexyl]-2-[2-(6-methoxynaphthalen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]propanamide is COc1ccc2cc(S(=O)(=O)N3CCn4cccc4C3C(C)C(=O)NC3CCCC(N4CCC(F)(F)CC4)C3)ccc2c1.

What is the InChIKey of N-[3-(4,4-difluoropiperidin-1-yl)cyclohexyl]-2-[2-(6-methoxynaphthalen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]propanamide?

The InChIKey is MVUONKYXSSEGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40F2N4O4S/c1-22(31(39)35-25-5-3-6-26(21-25)36-15-12-32(33,34)13-16-36)30-29-7-4-14-37(29)17-18-38(30)43(40,41)28-11-9-23-19-27(42-2)10-8-24(23)20-28/h4,7-11,14,19-20,22,25-26,30H,3,5-6,12-13,15-18,21H2,1-2H3,(H,35,39).

What are the key properties of N-[3-(4,4-difluoropiperidin-1-yl)cyclohexyl]-2-[2-(6-methoxynaphthalen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]propanamide?

N-[3-(4,4-difluoropiperidin-1-yl)cyclohexyl]-2-[2-(6-methoxynaphthalen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]propanamide has a molecular weight of 614.76 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4,4-difluoropiperidin-1-yl)cyclohexyl]-2-[2-(6-methoxynaphthalen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]propanamide is sourced from PubChem (CID 123184809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).