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

C33H29Cl2F3N4O2 — CID 58327866

IUPAC[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]methanone
SMILESO=C(c1ccc(-c2cnc3c(c2)N(Cc2cc(Cl)ccc2C(F)(F)F)CCN3)cc1)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C33H29Cl2F3N4O2/c34-26-7-5-25(6-8-26)32(44)11-14-41(15-12-32)31(43)22-3-1-21(2-4-22)23-18-29-30(40-19-23)39-13-16-42(29)20-24-17-27(35)9-10-28(24)33(36,37)38/h1-10,17-19,44H,11-16,20H2,(H,39,40)
InChIKeyYWDHVNSHPYHHKA-UHFFFAOYSA-N
MW641.52 g/mol
LogP7.63
Rot. Bonds5

About [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-[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]-[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]methanone (PubChem CID 58327866) 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]-[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-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]methanone
PubChem CID58327866
Molecular FormulaC33H29Cl2F3N4O2
Molecular Weight641.52 g/mol
Exact Mass640.16
IUPAC Name[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]methanone
SMILESO=C(c1ccc(-c2cnc3c(c2)N(Cc2cc(Cl)ccc2C(F)(F)F)CCN3)cc1)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C33H29Cl2F3N4O2/c34-26-7-5-25(6-8-26)32(44)11-14-41(15-12-32)31(43)22-3-1-21(2-4-22)23-18-29-30(40-19-23)39-13-16-42(29)20-24-17-27(35)9-10-28(24)33(36,37)38/h1-10,17-19,44H,11-16,20H2,(H,39,40)
InChIKeyYWDHVNSHPYHHKA-UHFFFAOYSA-N
XLogP7.63
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.52
LogP ≤ 57.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-4-hydroxypiperidin-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-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]methanone (CID 58327866) is [4-(4-chlorophenyl)-4-hydroxypiperidin-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-(4-chlorophenyl)-4-hydroxypiperidin-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-(4-chlorophenyl)-4-hydroxypiperidin-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)N1CCC(O)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenyl)-4-hydroxypiperidin-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 YWDHVNSHPYHHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29Cl2F3N4O2/c34-26-7-5-25(6-8-26)32(44)11-14-41(15-12-32)31(43)22-3-1-21(2-4-22)23-18-29-30(40-19-23)39-13-16-42(29)20-24-17-27(35)9-10-28(24)33(36,37)38/h1-10,17-19,44H,11-16,20H2,(H,39,40).
What are the key properties of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-[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]-[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 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]-[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 58327866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).