4-[(2S)-5-chloro-6-fluoro-2-phenyl-2-spiro[1,3-dihydroindene-2,5'-pyrrolidine]-2'-yl-3H-1-benzofuran-4-yl]-5-fluoro-6-(2-hydroxyethoxy)-N-methylpyridine-3-carboxamide

C35H32ClF2N3O4 — CID 170188712

IUPAC4-[(2S)-5-chloro-6-fluoro-2-phenyl-2-spiro[1,3-dihydroindene-2,5'-pyrrolidine]-2'-yl-3H-1-benzofuran-4-yl]-5-fluoro-6-(2-hydroxyethoxy)-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(OCCO)c(F)c1-c1c(Cl)c(F)cc2c1C[C@](c1ccccc1)(C1CCC3(Cc4ccccc4C3)N1)O2
InChIInChI=1S/C35H32ClF2N3O4/c1-39-32(43)24-19-40-33(44-14-13-42)31(38)29(24)28-23-18-35(22-9-3-2-4-10-22,45-26(23)15-25(37)30(28)36)27-11-12-34(41-27)16-20-7-5-6-8-21(20)17-34/h2-10,15,19,27,41-42H,11-14,16-18H2,1H3,(H,39,43)/t27?,35-/m0/s1
InChIKeyQMGXWGDCFIBMQO-JFIHQKCHSA-N
MW632.11 g/mol
LogP5.53
Rot. Bonds7

About 4-[(2S)-5-chloro-6-fluoro-2-phenyl-2-spiro[1,3-dihydroindene-2,5'-pyrrolidine]-2'-yl-3H-1-benzofuran-4-yl]-5-fluoro-6-(2-hydroxyethoxy)-N-methylpyridine-3-carboxamide

4-[(2S)-5-chloro-6-fluoro-2-phenyl-2-spiro[1,3-dihydroindene-2,5'-pyrrolidine]-2'-yl-3H-1-benzofuran-4-yl]-5-fluoro-6-(2-hydroxyethoxy)-N-methylpyridine-3-carboxamide (PubChem CID 170188712) has the molecular formula C35H32ClF2N3O4 and a molecular weight of 632.11 g/mol. Its IUPAC name is 4-[(2S)-5-chloro-6-fluoro-2-phenyl-2-spiro[1,3-dihydroindene-2,5'-pyrrolidine]-2'-yl-3H-1-benzofuran-4-yl]-5-fluoro-6-(2-hydroxyethoxy)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(2S)-5-chloro-6-fluoro-2-phenyl-2-spiro[1,3-dihydroindene-2,5'-pyrrolidine]-2'-yl-3H-1-benzofuran-4-yl]-5-fluoro-6-(2-hydroxyethoxy)-N-methylpyridine-3-carboxamide
PubChem CID170188712
Molecular FormulaC35H32ClF2N3O4
Molecular Weight632.11 g/mol
Exact Mass631.20
IUPAC Name4-[(2S)-5-chloro-6-fluoro-2-phenyl-2-spiro[1,3-dihydroindene-2,5'-pyrrolidine]-2'-yl-3H-1-benzofuran-4-yl]-5-fluoro-6-(2-hydroxyethoxy)-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(OCCO)c(F)c1-c1c(Cl)c(F)cc2c1C[C@](c1ccccc1)(C1CCC3(Cc4ccccc4C3)N1)O2
InChIInChI=1S/C35H32ClF2N3O4/c1-39-32(43)24-19-40-33(44-14-13-42)31(38)29(24)28-23-18-35(22-9-3-2-4-10-22,45-26(23)15-25(37)30(28)36)27-11-12-34(41-27)16-20-7-5-6-8-21(20)17-34/h2-10,15,19,27,41-42H,11-14,16-18H2,1H3,(H,39,43)/t27?,35-/m0/s1
InChIKeyQMGXWGDCFIBMQO-JFIHQKCHSA-N
XLogP5.53
TPSA92.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.11
LogP ≤ 55.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[(2S)-5-chloro-6-fluoro-2-phenyl-2-spiro[1,3-dihydroindene-2,5'-pyrrolidine]-2'-yl-3H-1-benzofuran-4-yl]-5-fluoro-6-(2-hydroxyethoxy)-N-methylpyridine-3-carboxamide 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 4-[(2S)-5-chloro-6-fluoro-2-phenyl-2-spiro[1,3-dihydroindene-2,5'-pyrrolidine]-2'-yl-3H-1-benzofuran-4-yl]-5-fluoro-6-(2-hydroxyethoxy)-N-methylpyridine-3-carboxamide?
The IUPAC name of 4-[(2S)-5-chloro-6-fluoro-2-phenyl-2-spiro[1,3-dihydroindene-2,5'-pyrrolidine]-2'-yl-3H-1-benzofuran-4-yl]-5-fluoro-6-(2-hydroxyethoxy)-N-methylpyridine-3-carboxamide (CID 170188712) is 4-[(2S)-5-chloro-6-fluoro-2-phenyl-2-spiro[1,3-dihydroindene-2,5'-pyrrolidine]-2'-yl-3H-1-benzofuran-4-yl]-5-fluoro-6-(2-hydroxyethoxy)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-[(2S)-5-chloro-6-fluoro-2-phenyl-2-spiro[1,3-dihydroindene-2,5'-pyrrolidine]-2'-yl-3H-1-benzofuran-4-yl]-5-fluoro-6-(2-hydroxyethoxy)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 4-[(2S)-5-chloro-6-fluoro-2-phenyl-2-spiro[1,3-dihydroindene-2,5'-pyrrolidine]-2'-yl-3H-1-benzofuran-4-yl]-5-fluoro-6-(2-hydroxyethoxy)-N-methylpyridine-3-carboxamide is CNC(=O)c1cnc(OCCO)c(F)c1-c1c(Cl)c(F)cc2c1C[C@](c1ccccc1)(C1CCC3(Cc4ccccc4C3)N1)O2.
What is the InChIKey of 4-[(2S)-5-chloro-6-fluoro-2-phenyl-2-spiro[1,3-dihydroindene-2,5'-pyrrolidine]-2'-yl-3H-1-benzofuran-4-yl]-5-fluoro-6-(2-hydroxyethoxy)-N-methylpyridine-3-carboxamide?
The InChIKey is QMGXWGDCFIBMQO-JFIHQKCHSA-N. The full InChI is InChI=1S/C35H32ClF2N3O4/c1-39-32(43)24-19-40-33(44-14-13-42)31(38)29(24)28-23-18-35(22-9-3-2-4-10-22,45-26(23)15-25(37)30(28)36)27-11-12-34(41-27)16-20-7-5-6-8-21(20)17-34/h2-10,15,19,27,41-42H,11-14,16-18H2,1H3,(H,39,43)/t27?,35-/m0/s1.
What are the key properties of 4-[(2S)-5-chloro-6-fluoro-2-phenyl-2-spiro[1,3-dihydroindene-2,5'-pyrrolidine]-2'-yl-3H-1-benzofuran-4-yl]-5-fluoro-6-(2-hydroxyethoxy)-N-methylpyridine-3-carboxamide?
4-[(2S)-5-chloro-6-fluoro-2-phenyl-2-spiro[1,3-dihydroindene-2,5'-pyrrolidine]-2'-yl-3H-1-benzofuran-4-yl]-5-fluoro-6-(2-hydroxyethoxy)-N-methylpyridine-3-carboxamide has a molecular weight of 632.11 g/mol, XLogP of 5.53, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-5-chloro-6-fluoro-2-phenyl-2-spiro[1,3-dihydroindene-2,5'-pyrrolidine]-2'-yl-3H-1-benzofuran-4-yl]-5-fluoro-6-(2-hydroxyethoxy)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 170188712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).