3-[4-[4-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyanilino]pyrrolidin-2-one

C31H30ClF4N3O5 — CID 160916165

IUPAC3-[4-[4-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyanilino]pyrrolidin-2-one
SMILESCOc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)c(Cl)c4)n2)OCC3(C)C)C(F)(F)F)ccc1NC1CCNC1=O
InChIInChI=1S/C31H30ClF4N3O5/c1-29(2)15-44-27-18(29)14-25(39-26(27)17-4-6-20(33)19(32)12-17)30(42,31(34,35)36)10-8-23(40)16-5-7-21(24(13-16)43-3)38-22-9-11-37-28(22)41/h4-7,12-14,22,38,42H,8-11,15H2,1-3H3,(H,37,41)
InChIKeySRKUUNIRDIFVCU-UHFFFAOYSA-N
MW636.04 g/mol
LogP5.93
Rot. Bonds9

About 3-[4-[4-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyanilino]pyrrolidin-2-one

3-[4-[4-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyanilino]pyrrolidin-2-one (PubChem CID 160916165) has the molecular formula C31H30ClF4N3O5 and a molecular weight of 636.04 g/mol. Its IUPAC name is 3-[4-[4-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyanilino]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-[4-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyanilino]pyrrolidin-2-one
PubChem CID160916165
Molecular FormulaC31H30ClF4N3O5
Molecular Weight636.04 g/mol
Exact Mass635.18
IUPAC Name3-[4-[4-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyanilino]pyrrolidin-2-one
SMILESCOc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)c(Cl)c4)n2)OCC3(C)C)C(F)(F)F)ccc1NC1CCNC1=O
InChIInChI=1S/C31H30ClF4N3O5/c1-29(2)15-44-27-18(29)14-25(39-26(27)17-4-6-20(33)19(32)12-17)30(42,31(34,35)36)10-8-23(40)16-5-7-21(24(13-16)43-3)38-22-9-11-37-28(22)41/h4-7,12-14,22,38,42H,8-11,15H2,1-3H3,(H,37,41)
InChIKeySRKUUNIRDIFVCU-UHFFFAOYSA-N
XLogP5.93
TPSA109.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.04
LogP ≤ 55.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[4-[4-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyanilino]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyanilino]pyrrolidin-2-one?
The IUPAC name of 3-[4-[4-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyanilino]pyrrolidin-2-one (CID 160916165) is 3-[4-[4-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyanilino]pyrrolidin-2-one.
What is the SMILES notation for 3-[4-[4-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyanilino]pyrrolidin-2-one?
The canonical SMILES for 3-[4-[4-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyanilino]pyrrolidin-2-one is COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)c(Cl)c4)n2)OCC3(C)C)C(F)(F)F)ccc1NC1CCNC1=O.
What is the InChIKey of 3-[4-[4-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyanilino]pyrrolidin-2-one?
The InChIKey is SRKUUNIRDIFVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30ClF4N3O5/c1-29(2)15-44-27-18(29)14-25(39-26(27)17-4-6-20(33)19(32)12-17)30(42,31(34,35)36)10-8-23(40)16-5-7-21(24(13-16)43-3)38-22-9-11-37-28(22)41/h4-7,12-14,22,38,42H,8-11,15H2,1-3H3,(H,37,41).
What are the key properties of 3-[4-[4-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyanilino]pyrrolidin-2-one?
3-[4-[4-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyanilino]pyrrolidin-2-one has a molecular weight of 636.04 g/mol, XLogP of 5.93, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyanilino]pyrrolidin-2-one is sourced from PubChem (CID 160916165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).