5-[2-[2-(3,5-difluorophenyl)-1-[[2-[(3S)-5,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide

C32H27F3N4O3 — CID 71185078

IUPAC5-[2-[2-(3,5-difluorophenyl)-1-[[2-[(3S)-5,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide
SMILESCc1cc(C)c2c(c1)[C@H](CC(=O)NC(Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(N)=O)c1)C(=O)N2
InChIInChI=1S/C32H27F3N4O3/c1-16-8-17(2)29-23(9-16)24(32(42)39-29)15-28(40)38-27(12-18-10-20(33)14-21(34)11-18)30-22(4-3-7-37-30)19-5-6-26(35)25(13-19)31(36)41/h3-11,13-14,24,27H,12,15H2,1-2H3,(H2,36,41)(H,38,40)(H,39,42)/t24-,27?/m0/s1
InChIKeyIIDCKQVUYFRQQJ-BXXZMZEQSA-N
MW572.59 g/mol
LogP5.41
Rot. Bonds8

About 5-[2-[2-(3,5-difluorophenyl)-1-[[2-[(3S)-5,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide

5-[2-[2-(3,5-difluorophenyl)-1-[[2-[(3S)-5,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide (PubChem CID 71185078) has the molecular formula C32H27F3N4O3 and a molecular weight of 572.59 g/mol. Its IUPAC name is 5-[2-[2-(3,5-difluorophenyl)-1-[[2-[(3S)-5,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[2-[2-(3,5-difluorophenyl)-1-[[2-[(3S)-5,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide
PubChem CID71185078
Molecular FormulaC32H27F3N4O3
Molecular Weight572.59 g/mol
Exact Mass572.20
IUPAC Name5-[2-[2-(3,5-difluorophenyl)-1-[[2-[(3S)-5,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide
SMILESCc1cc(C)c2c(c1)[C@H](CC(=O)NC(Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(N)=O)c1)C(=O)N2
InChIInChI=1S/C32H27F3N4O3/c1-16-8-17(2)29-23(9-16)24(32(42)39-29)15-28(40)38-27(12-18-10-20(33)14-21(34)11-18)30-22(4-3-7-37-30)19-5-6-26(35)25(13-19)31(36)41/h3-11,13-14,24,27H,12,15H2,1-2H3,(H2,36,41)(H,38,40)(H,39,42)/t24-,27?/m0/s1
InChIKeyIIDCKQVUYFRQQJ-BXXZMZEQSA-N
XLogP5.41
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.59
LogP ≤ 55.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[2-[2-(3,5-difluorophenyl)-1-[[2-[(3S)-5,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(3,5-difluorophenyl)-1-[[2-[(3S)-5,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide?
The IUPAC name of 5-[2-[2-(3,5-difluorophenyl)-1-[[2-[(3S)-5,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide (CID 71185078) is 5-[2-[2-(3,5-difluorophenyl)-1-[[2-[(3S)-5,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide.
What is the SMILES notation for 5-[2-[2-(3,5-difluorophenyl)-1-[[2-[(3S)-5,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide?
The canonical SMILES for 5-[2-[2-(3,5-difluorophenyl)-1-[[2-[(3S)-5,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide is Cc1cc(C)c2c(c1)[C@H](CC(=O)NC(Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(N)=O)c1)C(=O)N2.
What is the InChIKey of 5-[2-[2-(3,5-difluorophenyl)-1-[[2-[(3S)-5,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide?
The InChIKey is IIDCKQVUYFRQQJ-BXXZMZEQSA-N. The full InChI is InChI=1S/C32H27F3N4O3/c1-16-8-17(2)29-23(9-16)24(32(42)39-29)15-28(40)38-27(12-18-10-20(33)14-21(34)11-18)30-22(4-3-7-37-30)19-5-6-26(35)25(13-19)31(36)41/h3-11,13-14,24,27H,12,15H2,1-2H3,(H2,36,41)(H,38,40)(H,39,42)/t24-,27?/m0/s1.
What are the key properties of 5-[2-[2-(3,5-difluorophenyl)-1-[[2-[(3S)-5,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide?
5-[2-[2-(3,5-difluorophenyl)-1-[[2-[(3S)-5,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide has a molecular weight of 572.59 g/mol, XLogP of 5.41, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(3,5-difluorophenyl)-1-[[2-[(3S)-5,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 71185078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).