2-(3,5-difluorophenyl)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide

C29H20F2N4O2 — CID 22978052

IUPAC2-(3,5-difluorophenyl)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide
SMILESO=C(Cc1cc(F)cc(F)c1)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1
InChIInChI=1S/C29H20F2N4O2/c30-21-12-18(13-22(31)17-21)14-28(36)33-24-6-3-4-19(15-24)29(37)20-7-9-25-26(34-35-27(25)16-20)10-8-23-5-1-2-11-32-23/h1-13,15-17H,14H2,(H,33,36)(H,34,35)/b10-8+
InChIKeyDMLADFIBZHNUSJ-CSKARUKUSA-N
MW494.50 g/mol
LogP5.82
Rot. Bonds7

About 2-(3,5-difluorophenyl)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide

2-(3,5-difluorophenyl)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide (PubChem CID 22978052) has the molecular formula C29H20F2N4O2 and a molecular weight of 494.50 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide
PubChem CID22978052
Molecular FormulaC29H20F2N4O2
Molecular Weight494.50 g/mol
Exact Mass494.16
IUPAC Name2-(3,5-difluorophenyl)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide
SMILESO=C(Cc1cc(F)cc(F)c1)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1
InChIInChI=1S/C29H20F2N4O2/c30-21-12-18(13-22(31)17-21)14-28(36)33-24-6-3-4-19(15-24)29(37)20-7-9-25-26(34-35-27(25)16-20)10-8-23-5-1-2-11-32-23/h1-13,15-17H,14H2,(H,33,36)(H,34,35)/b10-8+
InChIKeyDMLADFIBZHNUSJ-CSKARUKUSA-N
XLogP5.82
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.50
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-difluorophenyl)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide 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 2-(3,5-difluorophenyl)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide?
The IUPAC name of 2-(3,5-difluorophenyl)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide (CID 22978052) is 2-(3,5-difluorophenyl)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide is O=C(Cc1cc(F)cc(F)c1)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide?
The InChIKey is DMLADFIBZHNUSJ-CSKARUKUSA-N. The full InChI is InChI=1S/C29H20F2N4O2/c30-21-12-18(13-22(31)17-21)14-28(36)33-24-6-3-4-19(15-24)29(37)20-7-9-25-26(34-35-27(25)16-20)10-8-23-5-1-2-11-32-23/h1-13,15-17H,14H2,(H,33,36)(H,34,35)/b10-8+.
What are the key properties of 2-(3,5-difluorophenyl)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide?
2-(3,5-difluorophenyl)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide has a molecular weight of 494.50 g/mol, XLogP of 5.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide is sourced from PubChem (CID 22978052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).