3-fluoro-N-[[4-[3-(1-methylpyrazol-4-yl)-1H-indazol-6-yl]phenyl]methyl]benzamide

C25H20FN5O — CID 66995319

IUPAC3-fluoro-N-[[4-[3-(1-methylpyrazol-4-yl)-1H-indazol-6-yl]phenyl]methyl]benzamide
SMILESCn1cc(-c2n[nH]c3cc(-c4ccc(CNC(=O)c5cccc(F)c5)cc4)ccc23)cn1
InChIInChI=1S/C25H20FN5O/c1-31-15-20(14-28-31)24-22-10-9-18(12-23(22)29-30-24)17-7-5-16(6-8-17)13-27-25(32)19-3-2-4-21(26)11-19/h2-12,14-15H,13H2,1H3,(H,27,32)(H,29,30)
InChIKeyLQOZVYXJMGLXAD-UHFFFAOYSA-N
MW425.47 g/mol
LogP4.70
Rot. Bonds5

About 3-fluoro-N-[[4-[3-(1-methylpyrazol-4-yl)-1H-indazol-6-yl]phenyl]methyl]benzamide

3-fluoro-N-[[4-[3-(1-methylpyrazol-4-yl)-1H-indazol-6-yl]phenyl]methyl]benzamide (PubChem CID 66995319) has the molecular formula C25H20FN5O and a molecular weight of 425.47 g/mol. Its IUPAC name is 3-fluoro-N-[[4-[3-(1-methylpyrazol-4-yl)-1H-indazol-6-yl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[[4-[3-(1-methylpyrazol-4-yl)-1H-indazol-6-yl]phenyl]methyl]benzamide
PubChem CID66995319
Molecular FormulaC25H20FN5O
Molecular Weight425.47 g/mol
Exact Mass425.17
IUPAC Name3-fluoro-N-[[4-[3-(1-methylpyrazol-4-yl)-1H-indazol-6-yl]phenyl]methyl]benzamide
SMILESCn1cc(-c2n[nH]c3cc(-c4ccc(CNC(=O)c5cccc(F)c5)cc4)ccc23)cn1
InChIInChI=1S/C25H20FN5O/c1-31-15-20(14-28-31)24-22-10-9-18(12-23(22)29-30-24)17-7-5-16(6-8-17)13-27-25(32)19-3-2-4-21(26)11-19/h2-12,14-15H,13H2,1H3,(H,27,32)(H,29,30)
InChIKeyLQOZVYXJMGLXAD-UHFFFAOYSA-N
XLogP4.70
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 121196339
3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-1H-indazole-6-carboxamide
CID 22260682
3-ethoxy-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]benzamide;formic acid
CID 166155514
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-methylsulfanylbenzamide
CID 121022535
N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-methoxybenzamide
CID 22260912
3-bromo-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292435
N-[[4-(aminomethyl)phenyl]methyl]-3-fluorobenzamide
CID 54936495
3-cyano-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 119105290
N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-3-fluorobenzamide
CID 69067364
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide
CID 134039269
3-fluoro-N-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-2-oxoethyl]benzamide
CID 78839008
3-fluoro-N-[[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide
CID 92568482

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[4-[3-(1-methylpyrazol-4-yl)-1H-indazol-6-yl]phenyl]methyl]benzamide?
The IUPAC name of 3-fluoro-N-[[4-[3-(1-methylpyrazol-4-yl)-1H-indazol-6-yl]phenyl]methyl]benzamide (CID 66995319) is 3-fluoro-N-[[4-[3-(1-methylpyrazol-4-yl)-1H-indazol-6-yl]phenyl]methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[[4-[3-(1-methylpyrazol-4-yl)-1H-indazol-6-yl]phenyl]methyl]benzamide?
The canonical SMILES for 3-fluoro-N-[[4-[3-(1-methylpyrazol-4-yl)-1H-indazol-6-yl]phenyl]methyl]benzamide is Cn1cc(-c2n[nH]c3cc(-c4ccc(CNC(=O)c5cccc(F)c5)cc4)ccc23)cn1.
What is the InChIKey of 3-fluoro-N-[[4-[3-(1-methylpyrazol-4-yl)-1H-indazol-6-yl]phenyl]methyl]benzamide?
The InChIKey is LQOZVYXJMGLXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O/c1-31-15-20(14-28-31)24-22-10-9-18(12-23(22)29-30-24)17-7-5-16(6-8-17)13-27-25(32)19-3-2-4-21(26)11-19/h2-12,14-15H,13H2,1H3,(H,27,32)(H,29,30).
What are the key properties of 3-fluoro-N-[[4-[3-(1-methylpyrazol-4-yl)-1H-indazol-6-yl]phenyl]methyl]benzamide?
3-fluoro-N-[[4-[3-(1-methylpyrazol-4-yl)-1H-indazol-6-yl]phenyl]methyl]benzamide has a molecular weight of 425.47 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[4-[3-(1-methylpyrazol-4-yl)-1H-indazol-6-yl]phenyl]methyl]benzamide is sourced from PubChem (CID 66995319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).