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

C32H28Cl2F3N5O — CID 58327785

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

[4-(2-chlorophenyl)piperazin-1-yl]-[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]methanone (PubChem CID 58327785) has the molecular formula C32H28Cl2F3N5O and a molecular weight of 626.51 g/mol. Its IUPAC name is [4-(2-chlorophenyl)piperazin-1-yl]-[4-[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-(2-chlorophenyl)piperazin-1-yl]-[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]methanone
• PubChem CID: 58327785
• Molecular Formula: C32H28Cl2F3N5O
• Molecular Weight: 626.51 g/mol
• Exact Mass: 625.16
• IUPAC Name: [4-(2-chlorophenyl)piperazin-1-yl]-[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]methanone
• SMILES: O=C(c1ccc(-c2cnc3c(c2)N(Cc2cc(Cl)ccc2C(F)(F)F)CCN3)cc1)N1CCN(c2ccccc2Cl)CC1
• InChI: InChI=1S/C32H28Cl2F3N5O/c33-25-9-10-26(32(35,36)37)24(17-25)20-42-12-11-38-30-29(42)18-23(19-39-30)21-5-7-22(8-6-21)31(43)41-15-13-40(14-16-41)28-4-2-1-3-27(28)34/h1-10,17-19H,11-16,20H2,(H,38,39)
• InChIKey: VYQBYYYEJYENPF-UHFFFAOYSA-N
• XLogP: 7.47
• TPSA: 51.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	626.51
LogP ≤ 5	7.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenyl)piperazin-1-yl]-[4-[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-(2-chlorophenyl)piperazin-1-yl]-[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]methanone (CID 58327785) is [4-(2-chlorophenyl)piperazin-1-yl]-[4-[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-(2-chlorophenyl)piperazin-1-yl]-[4-[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-(2-chlorophenyl)piperazin-1-yl]-[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]methanone is O=C(c1ccc(-c2cnc3c(c2)N(Cc2cc(Cl)ccc2C(F)(F)F)CCN3)cc1)N1CCN(c2ccccc2Cl)CC1.

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

The InChIKey is VYQBYYYEJYENPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28Cl2F3N5O/c33-25-9-10-26(32(35,36)37)24(17-25)20-42-12-11-38-30-29(42)18-23(19-39-30)21-5-7-22(8-6-21)31(43)41-15-13-40(14-16-41)28-4-2-1-3-27(28)34/h1-10,17-19H,11-16,20H2,(H,38,39).

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

[4-(2-chlorophenyl)piperazin-1-yl]-[4-[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 626.51 g/mol, XLogP of 7.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2-chlorophenyl)piperazin-1-yl]-[4-[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 58327785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).