3-(4-fluorophenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine

C26H19FN2O — CID 58758536

IUPAC3-(4-fluorophenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2ccc(F)cc2)c2cc(-c3ccccc3Oc3ccccc3)cnc21
InChIInChI=1S/C26H19FN2O/c1-29-17-24(18-11-13-20(27)14-12-18)23-15-19(16-28-26(23)29)22-9-5-6-10-25(22)30-21-7-3-2-4-8-21/h2-17H,1H3
InChIKeyLGJXYQPSUIIWIL-UHFFFAOYSA-N
MW394.45 g/mol
LogP6.84
Rot. Bonds4

About 3-(4-fluorophenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine

3-(4-fluorophenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine (PubChem CID 58758536) has the molecular formula C26H19FN2O and a molecular weight of 394.45 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine
PubChem CID58758536
Molecular FormulaC26H19FN2O
Molecular Weight394.45 g/mol
Exact Mass394.15
IUPAC Name3-(4-fluorophenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2ccc(F)cc2)c2cc(-c3ccccc3Oc3ccccc3)cnc21
InChIInChI=1S/C26H19FN2O/c1-29-17-24(18-11-13-20(27)14-12-18)23-15-19(16-28-26(23)29)22-9-5-6-10-25(22)30-21-7-3-2-4-8-21/h2-17H,1H3
InChIKeyLGJXYQPSUIIWIL-UHFFFAOYSA-N
XLogP6.84
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.45
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Nvp-aew541
CID 11476171
7-[trans-4-(4-Methylpiperazin-1-Yl)cyclohexyl]-5-(4-Phenoxyphenyl)-7h-Pyrrolo[2,3-D]pyrimidin-4-Amine
CID 6539952
Nvp-adw742
CID 9825149
7-(3-(azetidin-1-yl)cyclobutyl)-5-(3-(benzyloxy)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 45270897
7-Cyclopentyl-5-(4-phenoxy)phenyl-7H-pyrrolo(2,3-d)pyrimidin-4-ylamine
CID 6603792
5-(4-Phenoxyphenyl)-7-(Tetrahydro-2h-Pyran-4-Yl)-7h-Pyrrolo[2,3-D]pyrimidin-4-Amine
CID 22736361
5-(4-Phenoxyphenyl)-7-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 9870993
6-Amino-2-(4-fluorophenyl)-4-benzyloxy-3-(4-pyridyl)-1h-pyrrolo[2,3-b]pyridine
CID 10386848
7-Isopropyl-5-(4-phenoxy-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine
CID 19597433
7-tert-butyl-5-[4-(4-methoxyphenoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 19597465
4-[4-(4-Amino-7-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-phenoxy]-phenol
CID 19597536
3-[4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentan-1-ol
CID 22736235

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(4-fluorophenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine (CID 58758536) is 3-(4-fluorophenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(4-fluorophenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(4-fluorophenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine is Cn1cc(-c2ccc(F)cc2)c2cc(-c3ccccc3Oc3ccccc3)cnc21.
What is the InChIKey of 3-(4-fluorophenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine?
The InChIKey is LGJXYQPSUIIWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN2O/c1-29-17-24(18-11-13-20(27)14-12-18)23-15-19(16-28-26(23)29)22-9-5-6-10-25(22)30-21-7-3-2-4-8-21/h2-17H,1H3.
What are the key properties of 3-(4-fluorophenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine?
3-(4-fluorophenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine has a molecular weight of 394.45 g/mol, XLogP of 6.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58758536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).