3-cyclopropyloxy-N-[(4-fluoro-5-hydroxy-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide

C25H21F2N3O3 — CID 165385094

IUPAC3-cyclopropyloxy-N-[(4-fluoro-5-hydroxy-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide
SMILESCN(Cc1cc(O)c(F)c2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OC2CC2)c1
InChIInChI=1S/C25H21F2N3O3/c1-30(13-16-10-21(31)23(27)20-12-28-29-24(16)20)25(32)15-5-8-19(14-3-2-4-17(26)9-14)22(11-15)33-18-6-7-18/h2-5,8-12,18,31H,6-7,13H2,1H3,(H,28,29)
InChIKeyIHERDPVYTGCFRK-UHFFFAOYSA-N
MW449.46 g/mol
LogP5.03
Rot. Bonds6

About 3-cyclopropyloxy-N-[(4-fluoro-5-hydroxy-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide

3-cyclopropyloxy-N-[(4-fluoro-5-hydroxy-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide (PubChem CID 165385094) has the molecular formula C25H21F2N3O3 and a molecular weight of 449.46 g/mol. Its IUPAC name is 3-cyclopropyloxy-N-[(4-fluoro-5-hydroxy-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-cyclopropyloxy-N-[(4-fluoro-5-hydroxy-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide
PubChem CID165385094
Molecular FormulaC25H21F2N3O3
Molecular Weight449.46 g/mol
Exact Mass449.16
IUPAC Name3-cyclopropyloxy-N-[(4-fluoro-5-hydroxy-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide
SMILESCN(Cc1cc(O)c(F)c2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OC2CC2)c1
InChIInChI=1S/C25H21F2N3O3/c1-30(13-16-10-21(31)23(27)20-12-28-29-24(16)20)25(32)15-5-8-19(14-3-2-4-17(26)9-14)22(11-15)33-18-6-7-18/h2-5,8-12,18,31H,6-7,13H2,1H3,(H,28,29)
InChIKeyIHERDPVYTGCFRK-UHFFFAOYSA-N
XLogP5.03
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.46
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-cyclopropyloxy-N-[(4-fluoro-5-hydroxy-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide 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

N-[(4-cyano-1H-indazol-7-yl)methyl]-3-cyclopropyloxy-4-(3-fluorophenyl)-N-methylbenzamide
CID 165385244
3-cyclobutyloxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
CID 165385394
N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methyl-3-(oxetan-3-yloxy)benzamide
CID 165385194
3-cyclopropyloxy-4-(3-fluoro-5-methylphenyl)-N-[(5-hydroxy-4-methyl-1H-pyrazolo[4,5-c]pyridin-5-ium-7-yl)methyl]-N-methylbenzamide
CID 169119594
3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-b]pyridin-7-ylmethyl)benzamide
CID 165385435
3-cyclopropyloxy-N-[(1S)-1-(4-ethyl-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-hydroxyethyl]-4-(3-fluorophenyl)-N-methylbenzamide
CID 177286934
3-ethoxy-4-(3-fluorophenyl)-N-[(6-hydroxy-1H-indazol-7-yl)methyl]-N-methylbenzamide
CID 171106955
3-cyclopropyloxy-4-(3-fluorophenyl)-N-[[7-(hydroxymethyl)-3H-isoindol-4-yl]methyl]-N-methylbenzamide
CID 174089150
6-(3-cyanophenyl)-5-cyclopropyloxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]-N-methylpyridine-3-carboxamide
CID 165385100
N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-4-(3-fluorophenyl)benzamide
CID 165385026
4-(3-chlorophenyl)-3-cyclopropyloxy-N-methyl-N-[(6-methyl-1H-pyrazolo[4,3-c]pyridin-7-yl)methyl]benzamide
CID 171106899
3-ethoxy-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methyl-4-(3-phosphanylphenyl)benzamide
CID 170400492

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyloxy-N-[(4-fluoro-5-hydroxy-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide?
The IUPAC name of 3-cyclopropyloxy-N-[(4-fluoro-5-hydroxy-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide (CID 165385094) is 3-cyclopropyloxy-N-[(4-fluoro-5-hydroxy-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide.
What is the SMILES notation for 3-cyclopropyloxy-N-[(4-fluoro-5-hydroxy-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide?
The canonical SMILES for 3-cyclopropyloxy-N-[(4-fluoro-5-hydroxy-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide is CN(Cc1cc(O)c(F)c2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OC2CC2)c1.
What is the InChIKey of 3-cyclopropyloxy-N-[(4-fluoro-5-hydroxy-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide?
The InChIKey is IHERDPVYTGCFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N3O3/c1-30(13-16-10-21(31)23(27)20-12-28-29-24(16)20)25(32)15-5-8-19(14-3-2-4-17(26)9-14)22(11-15)33-18-6-7-18/h2-5,8-12,18,31H,6-7,13H2,1H3,(H,28,29).
What are the key properties of 3-cyclopropyloxy-N-[(4-fluoro-5-hydroxy-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide?
3-cyclopropyloxy-N-[(4-fluoro-5-hydroxy-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide has a molecular weight of 449.46 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyloxy-N-[(4-fluoro-5-hydroxy-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide is sourced from PubChem (CID 165385094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).