3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-indazole

C28H21FN4O2 — CID 137088524

IUPAC3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-indazole
SMILESCOc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(F)cc(OC)c6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C28H21FN4O2/c1-34-20-9-17(8-19(29)12-20)22-4-3-5-25-23(22)13-27(31-25)28-24-11-16(6-7-26(24)32-33-28)18-10-21(35-2)15-30-14-18/h3-15,31H,1-2H3,(H,32,33)
InChIKeyFTHQTPWPYJVWPQ-UHFFFAOYSA-N
MW464.50 g/mol
LogP6.60
Rot. Bonds5

About 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-indazole

3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-indazole (PubChem CID 137088524) has the molecular formula C28H21FN4O2 and a molecular weight of 464.50 g/mol. Its IUPAC name is 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-indazole.

Molecular Properties

Compound Name3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-indazole
PubChem CID137088524
Molecular FormulaC28H21FN4O2
Molecular Weight464.50 g/mol
Exact Mass464.16
IUPAC Name3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-indazole
SMILESCOc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(F)cc(OC)c6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C28H21FN4O2/c1-34-20-9-17(8-19(29)12-20)22-4-3-5-25-23(22)13-27(31-25)28-24-11-16(6-7-26(24)32-33-28)18-10-21(35-2)15-30-14-18/h3-15,31H,1-2H3,(H,32,33)
InChIKeyFTHQTPWPYJVWPQ-UHFFFAOYSA-N
XLogP6.60
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.50
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-indazole 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

A-443654
CID 10172943
A-674563
CID 11314340
5-{5-[(2S)-2-amino-3-(3-iodophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16733025
3-[(2S)-2-amino-3-[(5-{1H-pyrazolo[3,4-c]pyridin-5-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 16040274
3-[(2S)-2-amino-3-[(5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 23647380
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-chloro-1H-indazole
CID 23647431
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-1H-indazole
CID 10126464
5-{5-[(2S)-2-amino-3-(5-fluoro-2-methylphenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731499
5-{5-[(2S)-2-amino-3-(4-fluoro-3-methylphenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731501
5-{5-[(2S)-2-amino-3-[2-(trifluoromethoxy)phenyl]propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731503
5-{5-[(2S)-2-amino-3-[4-(trifluoromethoxy)phenyl]propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731505
5-{5-[(2S)-2-amino-3-(3-phenylphenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731507

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-indazole?
The IUPAC name of 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-indazole (CID 137088524) is 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-indazole.
What is the SMILES notation for 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-indazole?
The canonical SMILES for 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-indazole is COc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(F)cc(OC)c6)cccc5[nH]4)c3c2)c1.
What is the InChIKey of 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-indazole?
The InChIKey is FTHQTPWPYJVWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21FN4O2/c1-34-20-9-17(8-19(29)12-20)22-4-3-5-25-23(22)13-27(31-25)28-24-11-16(6-7-26(24)32-33-28)18-10-21(35-2)15-30-14-18/h3-15,31H,1-2H3,(H,32,33).
What are the key properties of 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-indazole?
3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-indazole has a molecular weight of 464.50 g/mol, XLogP of 6.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-indazole is sourced from PubChem (CID 137088524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).