[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]methanone

C33H29Cl2F3N4O2 — CID 58327874

About [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]methanone

[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]methanone (PubChem CID 58327874) has the molecular formula C33H29Cl2F3N4O2 and a molecular weight of 641.52 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]methanone.

Molecular Properties

• Compound Name: [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]methanone
• PubChem CID: 58327874
• Molecular Formula: C33H29Cl2F3N4O2
• Molecular Weight: 641.52 g/mol
• Exact Mass: 640.16
• IUPAC Name: [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]methanone
• SMILES: O=C(c1cccc(-c2cnc3c(c2)N(Cc2cc(Cl)ccc2C(F)(F)F)CCN3)c1)N1CCC(O)(c2ccc(Cl)cc2)CC1
• InChI: InChI=1S/C33H29Cl2F3N4O2/c34-26-6-4-25(5-7-26)32(44)10-13-41(14-11-32)31(43)22-3-1-2-21(16-22)23-18-29-30(40-19-23)39-12-15-42(29)20-24-17-27(35)8-9-28(24)33(36,37)38/h1-9,16-19,44H,10-15,20H2,(H,39,40)
• InChIKey: KWTATPQLPXYDGH-UHFFFAOYSA-N
• XLogP: 7.63
• TPSA: 68.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	641.52
LogP ≤ 5	7.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]methanone?

The IUPAC name of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]methanone (CID 58327874) is [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]methanone.

What is the SMILES notation for [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]methanone?

The canonical SMILES for [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]methanone is O=C(c1cccc(-c2cnc3c(c2)N(Cc2cc(Cl)ccc2C(F)(F)F)CCN3)c1)N1CCC(O)(c2ccc(Cl)cc2)CC1.

What is the InChIKey of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]methanone?

The InChIKey is KWTATPQLPXYDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29Cl2F3N4O2/c34-26-6-4-25(5-7-26)32(44)10-13-41(14-11-32)31(43)22-3-1-2-21(16-22)23-18-29-30(40-19-23)39-12-15-42(29)20-24-17-27(35)8-9-28(24)33(36,37)38/h1-9,16-19,44H,10-15,20H2,(H,39,40).

What are the key properties of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]methanone?

[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]methanone has a molecular weight of 641.52 g/mol, XLogP of 7.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]methanone is sourced from PubChem (CID 58327874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).