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

C18H14BrFN4 — CID 70222423

IUPAC5-bromo-2-(4-fluorophenyl)-3-pyridin-4-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-amine
SMILESNC1(c2ccc(F)cc2)Nc2ncc(Br)cc2C1c1ccncc1
InChIInChI=1S/C18H14BrFN4/c19-13-9-15-16(11-5-7-22-8-6-11)18(21,24-17(15)23-10-13)12-1-3-14(20)4-2-12/h1-10,16H,21H2,(H,23,24)
InChIKeyBPNSLNDXSPRERZ-UHFFFAOYSA-N
MW385.24 g/mol
LogP3.75
Rot. Bonds2

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

5-bromo-2-(4-fluorophenyl)-3-pyridin-4-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-amine (PubChem CID 70222423) has the molecular formula C18H14BrFN4 and a molecular weight of 385.24 g/mol. Its IUPAC name is 5-bromo-2-(4-fluorophenyl)-3-pyridin-4-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-2-(4-fluorophenyl)-3-pyridin-4-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-amine
PubChem CID70222423
Molecular FormulaC18H14BrFN4
Molecular Weight385.24 g/mol
Exact Mass384.04
IUPAC Name5-bromo-2-(4-fluorophenyl)-3-pyridin-4-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-amine
SMILESNC1(c2ccc(F)cc2)Nc2ncc(Br)cc2C1c1ccncc1
InChIInChI=1S/C18H14BrFN4/c19-13-9-15-16(11-5-7-22-8-6-11)18(21,24-17(15)23-10-13)12-1-3-14(20)4-2-12/h1-10,16H,21H2,(H,23,24)
InChIKeyBPNSLNDXSPRERZ-UHFFFAOYSA-N
XLogP3.75
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.24
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-fluorophenyl)-3-pyridin-4-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-amine?
The IUPAC name of 5-bromo-2-(4-fluorophenyl)-3-pyridin-4-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-amine (CID 70222423) is 5-bromo-2-(4-fluorophenyl)-3-pyridin-4-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-amine.
What is the SMILES notation for 5-bromo-2-(4-fluorophenyl)-3-pyridin-4-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-amine?
The canonical SMILES for 5-bromo-2-(4-fluorophenyl)-3-pyridin-4-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-amine is NC1(c2ccc(F)cc2)Nc2ncc(Br)cc2C1c1ccncc1.
What is the InChIKey of 5-bromo-2-(4-fluorophenyl)-3-pyridin-4-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-amine?
The InChIKey is BPNSLNDXSPRERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrFN4/c19-13-9-15-16(11-5-7-22-8-6-11)18(21,24-17(15)23-10-13)12-1-3-14(20)4-2-12/h1-10,16H,21H2,(H,23,24).
What are the key properties of 5-bromo-2-(4-fluorophenyl)-3-pyridin-4-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-amine?
5-bromo-2-(4-fluorophenyl)-3-pyridin-4-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-amine has a molecular weight of 385.24 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-fluorophenyl)-3-pyridin-4-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-amine is sourced from PubChem (CID 70222423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).