5-bromo-2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine

C18H12BrFN4 — CID 18175227

IUPAC5-bromo-2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESNc1nc2[nH]c(-c3ccc(F)cc3)c(-c3ccncc3)c2cc1Br
InChIInChI=1S/C18H12BrFN4/c19-14-9-13-15(10-5-7-22-8-6-10)16(23-18(13)24-17(14)21)11-1-3-12(20)4-2-11/h1-9H,(H3,21,23,24)
InChIKeyZRYYQFQWONBGMC-UHFFFAOYSA-N
MW383.22 g/mol
LogP4.78
Rot. Bonds2

About 5-bromo-2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine

5-bromo-2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 18175227) has the molecular formula C18H12BrFN4 and a molecular weight of 383.22 g/mol. Its IUPAC name is 5-bromo-2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound Name5-bromo-2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID18175227
Molecular FormulaC18H12BrFN4
Molecular Weight383.22 g/mol
Exact Mass382.02
IUPAC Name5-bromo-2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESNc1nc2[nH]c(-c3ccc(F)cc3)c(-c3ccncc3)c2cc1Br
InChIInChI=1S/C18H12BrFN4/c19-14-9-13-15(10-5-7-22-8-6-10)16(23-18(13)24-17(14)21)11-1-3-12(20)4-2-11/h1-9H,(H3,21,23,24)
InChIKeyZRYYQFQWONBGMC-UHFFFAOYSA-N
XLogP4.78
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.22
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of 5-bromo-2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 18175227) is 5-bromo-2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for 5-bromo-2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for 5-bromo-2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine is Nc1nc2[nH]c(-c3ccc(F)cc3)c(-c3ccncc3)c2cc1Br.
What is the InChIKey of 5-bromo-2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is ZRYYQFQWONBGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrFN4/c19-14-9-13-15(10-5-7-22-8-6-10)16(23-18(13)24-17(14)21)11-1-3-12(20)4-2-11/h1-9H,(H3,21,23,24).
What are the key properties of 5-bromo-2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine?
5-bromo-2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 383.22 g/mol, XLogP of 4.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 18175227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).