[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)methanone

C33H28ClF3N6O2 — CID 58327808

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

[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)methanone (PubChem CID 58327808) has the molecular formula C33H28ClF3N6O2 and a molecular weight of 633.07 g/mol. Its IUPAC name is [4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

• Compound Name: [4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)methanone
• PubChem CID: 58327808
• Molecular Formula: C33H28ClF3N6O2
• Molecular Weight: 633.07 g/mol
• Exact Mass: 632.19
• IUPAC Name: [4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)methanone
• SMILES: O=C(c1ccc(-c2cnc3c(c2)N(Cc2cc(Cl)ccc2C(F)(F)F)CCN3)cc1)N1CCN(c2nccc3occc23)CC1
• InChI: InChI=1S/C33H28ClF3N6O2/c34-25-5-6-27(33(35,36)37)24(17-25)20-43-11-10-38-30-28(43)18-23(19-40-30)21-1-3-22(4-2-21)32(44)42-14-12-41(13-15-42)31-26-8-16-45-29(26)7-9-39-31/h1-9,16-19H,10-15,20H2,(H,38,40)
• InChIKey: HTPKLFPIWCDEMT-UHFFFAOYSA-N
• XLogP: 6.96
• TPSA: 77.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	633.07
LogP ≤ 5	6.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)methanone (CID 58327808) is [4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)methanone.

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

The canonical SMILES for [4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)methanone is O=C(c1ccc(-c2cnc3c(c2)N(Cc2cc(Cl)ccc2C(F)(F)F)CCN3)cc1)N1CCN(c2nccc3occc23)CC1.

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

The InChIKey is HTPKLFPIWCDEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28ClF3N6O2/c34-25-5-6-27(33(35,36)37)24(17-25)20-43-11-10-38-30-28(43)18-23(19-40-30)21-1-3-22(4-2-21)32(44)42-14-12-41(13-15-42)31-26-8-16-45-29(26)7-9-39-31/h1-9,16-19H,10-15,20H2,(H,38,40).

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

[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)methanone has a molecular weight of 633.07 g/mol, XLogP of 6.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 58327808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).