4-(3-fluoro-5-methoxyphenyl)-2-[3-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole

C30H23FN4O2 — CID 137113145

IUPAC4-(3-fluoro-5-methoxyphenyl)-2-[3-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole
SMILESCOc1cc(F)cc(-c2cccc3[nH]c(-c4cc(-c5cncc(OCc6ccccc6)c5)n[nH]4)cc23)c1
InChIInChI=1S/C30H23FN4O2/c1-36-23-11-20(10-22(31)13-23)25-8-5-9-27-26(25)14-29(33-27)30-15-28(34-35-30)21-12-24(17-32-16-21)37-18-19-6-3-2-4-7-19/h2-17,33H,18H2,1H3,(H,34,35)
InChIKeyRKFYOOQRCDJZKK-UHFFFAOYSA-N
MW490.54 g/mol
LogP7.01
Rot. Bonds7

About 4-(3-fluoro-5-methoxyphenyl)-2-[3-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole

4-(3-fluoro-5-methoxyphenyl)-2-[3-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole (PubChem CID 137113145) has the molecular formula C30H23FN4O2 and a molecular weight of 490.54 g/mol. Its IUPAC name is 4-(3-fluoro-5-methoxyphenyl)-2-[3-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole.

Molecular Properties

Compound Name4-(3-fluoro-5-methoxyphenyl)-2-[3-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole
PubChem CID137113145
Molecular FormulaC30H23FN4O2
Molecular Weight490.54 g/mol
Exact Mass490.18
IUPAC Name4-(3-fluoro-5-methoxyphenyl)-2-[3-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole
SMILESCOc1cc(F)cc(-c2cccc3[nH]c(-c4cc(-c5cncc(OCc6ccccc6)c5)n[nH]4)cc23)c1
InChIInChI=1S/C30H23FN4O2/c1-36-23-11-20(10-22(31)13-23)25-8-5-9-27-26(25)14-29(33-27)30-15-28(34-35-30)21-12-24(17-32-16-21)37-18-19-6-3-2-4-7-19/h2-17,33H,18H2,1H3,(H,34,35)
InChIKeyRKFYOOQRCDJZKK-UHFFFAOYSA-N
XLogP7.01
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.54
LogP ≤ 57.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3-fluoro-5-methoxyphenyl)-2-[3-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole 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 4-(3-fluoro-5-methoxyphenyl)-2-[3-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole?
The IUPAC name of 4-(3-fluoro-5-methoxyphenyl)-2-[3-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole (CID 137113145) is 4-(3-fluoro-5-methoxyphenyl)-2-[3-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole.
What is the SMILES notation for 4-(3-fluoro-5-methoxyphenyl)-2-[3-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole?
The canonical SMILES for 4-(3-fluoro-5-methoxyphenyl)-2-[3-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole is COc1cc(F)cc(-c2cccc3[nH]c(-c4cc(-c5cncc(OCc6ccccc6)c5)n[nH]4)cc23)c1.
What is the InChIKey of 4-(3-fluoro-5-methoxyphenyl)-2-[3-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole?
The InChIKey is RKFYOOQRCDJZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23FN4O2/c1-36-23-11-20(10-22(31)13-23)25-8-5-9-27-26(25)14-29(33-27)30-15-28(34-35-30)21-12-24(17-32-16-21)37-18-19-6-3-2-4-7-19/h2-17,33H,18H2,1H3,(H,34,35).
What are the key properties of 4-(3-fluoro-5-methoxyphenyl)-2-[3-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole?
4-(3-fluoro-5-methoxyphenyl)-2-[3-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole has a molecular weight of 490.54 g/mol, XLogP of 7.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-5-methoxyphenyl)-2-[3-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole is sourced from PubChem (CID 137113145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).