N-[[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]methyl]-3-methoxybenzamide

C23H20FN3O3 — CID 22260674

IUPACN-[[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2ccc3[nH]nc(-c4cccc(F)c4)c3c2OC)c1
InChIInChI=1S/C23H20FN3O3/c1-29-18-8-4-6-15(12-18)23(28)25-13-16-9-10-19-20(22(16)30-2)21(27-26-19)14-5-3-7-17(24)11-14/h3-12H,13H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyRMFPUEHKMHCKPH-UHFFFAOYSA-N
MW405.43 g/mol
LogP4.32
Rot. Bonds6

About N-[[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]methyl]-3-methoxybenzamide

N-[[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]methyl]-3-methoxybenzamide (PubChem CID 22260674) has the molecular formula C23H20FN3O3 and a molecular weight of 405.43 g/mol. Its IUPAC name is N-[[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]methyl]-3-methoxybenzamide
PubChem CID22260674
Molecular FormulaC23H20FN3O3
Molecular Weight405.43 g/mol
Exact Mass405.15
IUPAC NameN-[[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2ccc3[nH]nc(-c4cccc(F)c4)c3c2OC)c1
InChIInChI=1S/C23H20FN3O3/c1-29-18-8-4-6-15(12-18)23(28)25-13-16-9-10-19-20(22(16)30-2)21(27-26-19)14-5-3-7-17(24)11-14/h3-12H,13H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyRMFPUEHKMHCKPH-UHFFFAOYSA-N
XLogP4.32
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]methyl]-3-methoxybenzamide?
The IUPAC name of N-[[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]methyl]-3-methoxybenzamide (CID 22260674) is N-[[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]methyl]-3-methoxybenzamide.
What is the SMILES notation for N-[[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]methyl]-3-methoxybenzamide?
The canonical SMILES for N-[[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]methyl]-3-methoxybenzamide is COc1cccc(C(=O)NCc2ccc3[nH]nc(-c4cccc(F)c4)c3c2OC)c1.
What is the InChIKey of N-[[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]methyl]-3-methoxybenzamide?
The InChIKey is RMFPUEHKMHCKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3/c1-29-18-8-4-6-15(12-18)23(28)25-13-16-9-10-19-20(22(16)30-2)21(27-26-19)14-5-3-7-17(24)11-14/h3-12H,13H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of N-[[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]methyl]-3-methoxybenzamide?
N-[[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]methyl]-3-methoxybenzamide has a molecular weight of 405.43 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]methyl]-3-methoxybenzamide is sourced from PubChem (CID 22260674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).