4-fluoro-5-[3-fluoro-2-methyl-5-[[1-(1,8-naphthyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide

C35H25F3N4O3 — CID 53380555

IUPAC4-fluoro-5-[3-fluoro-2-methyl-5-[[1-(1,8-naphthyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ccc6cccnc6n5)CC4)cc(F)c3C)c(F)c12
InChIInChI=1S/C35H25F3N4O3/c1-18-24(23-10-11-26-28(30(23)38)29(34(44)39-2)31(45-26)19-5-8-22(36)9-6-19)16-21(17-25(18)37)33(43)42-35(13-14-35)27-12-7-20-4-3-15-40-32(20)41-27/h3-12,15-17H,13-14H2,1-2H3,(H,39,44)(H,42,43)
InChIKeyGZKQEHDMQWVEQD-UHFFFAOYSA-N
MW606.60 g/mol
LogP7.21
Rot. Bonds6

About 4-fluoro-5-[3-fluoro-2-methyl-5-[[1-(1,8-naphthyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide

4-fluoro-5-[3-fluoro-2-methyl-5-[[1-(1,8-naphthyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide (PubChem CID 53380555) has the molecular formula C35H25F3N4O3 and a molecular weight of 606.60 g/mol. Its IUPAC name is 4-fluoro-5-[3-fluoro-2-methyl-5-[[1-(1,8-naphthyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name4-fluoro-5-[3-fluoro-2-methyl-5-[[1-(1,8-naphthyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
PubChem CID53380555
Molecular FormulaC35H25F3N4O3
Molecular Weight606.60 g/mol
Exact Mass606.19
IUPAC Name4-fluoro-5-[3-fluoro-2-methyl-5-[[1-(1,8-naphthyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ccc6cccnc6n5)CC4)cc(F)c3C)c(F)c12
InChIInChI=1S/C35H25F3N4O3/c1-18-24(23-10-11-26-28(30(23)38)29(34(44)39-2)31(45-26)19-5-8-22(36)9-6-19)16-21(17-25(18)37)33(43)42-35(13-14-35)27-12-7-20-4-3-15-40-32(20)41-27/h3-12,15-17H,13-14H2,1-2H3,(H,39,44)(H,42,43)
InChIKeyGZKQEHDMQWVEQD-UHFFFAOYSA-N
XLogP7.21
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.60
LogP ≤ 57.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-5-[3-fluoro-2-methyl-5-[[1-(1,8-naphthyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-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

Related Compounds

CID 59275404
CID 59275404
CID 46178246
CID 46178246
CID 59275494
CID 59275494
CID 59275242
CID 59275242
CID 59275359
CID 59275359
CID 59275372
CID 59275372
CID 59505132
CID 59505132
CID 59505145
CID 59505145
CID 71680015
CID 71680015
CID 145980451
CID 145980451
CID 145989571
CID 145989571
CID 145991112
CID 145991112

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-[3-fluoro-2-methyl-5-[[1-(1,8-naphthyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of 4-fluoro-5-[3-fluoro-2-methyl-5-[[1-(1,8-naphthyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide (CID 53380555) is 4-fluoro-5-[3-fluoro-2-methyl-5-[[1-(1,8-naphthyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 4-fluoro-5-[3-fluoro-2-methyl-5-[[1-(1,8-naphthyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 4-fluoro-5-[3-fluoro-2-methyl-5-[[1-(1,8-naphthyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ccc6cccnc6n5)CC4)cc(F)c3C)c(F)c12.
What is the InChIKey of 4-fluoro-5-[3-fluoro-2-methyl-5-[[1-(1,8-naphthyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?
The InChIKey is GZKQEHDMQWVEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25F3N4O3/c1-18-24(23-10-11-26-28(30(23)38)29(34(44)39-2)31(45-26)19-5-8-22(36)9-6-19)16-21(17-25(18)37)33(43)42-35(13-14-35)27-12-7-20-4-3-15-40-32(20)41-27/h3-12,15-17H,13-14H2,1-2H3,(H,39,44)(H,42,43).
What are the key properties of 4-fluoro-5-[3-fluoro-2-methyl-5-[[1-(1,8-naphthyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?
4-fluoro-5-[3-fluoro-2-methyl-5-[[1-(1,8-naphthyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide has a molecular weight of 606.60 g/mol, XLogP of 7.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-[3-fluoro-2-methyl-5-[[1-(1,8-naphthyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 53380555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).