[4-[3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]methanamine

C20H16FN3 — CID 170449805

IUPAC[4-[3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]methanamine
SMILESNCc1ccc(-c2ccnc3[nH]cc(-c4cccc(F)c4)c23)cc1
InChIInChI=1S/C20H16FN3/c21-16-3-1-2-15(10-16)18-12-24-20-19(18)17(8-9-23-20)14-6-4-13(11-22)5-7-14/h1-10,12H,11,22H2,(H,23,24)
InChIKeyAGOLISSFWDZPJJ-UHFFFAOYSA-N
MW317.37 g/mol
LogP4.49
Rot. Bonds3

About [4-[3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]methanamine

[4-[3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]methanamine (PubChem CID 170449805) has the molecular formula C20H16FN3 and a molecular weight of 317.37 g/mol. Its IUPAC name is [4-[3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]methanamine
PubChem CID170449805
Molecular FormulaC20H16FN3
Molecular Weight317.37 g/mol
Exact Mass317.13
IUPAC Name[4-[3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]methanamine
SMILESNCc1ccc(-c2ccnc3[nH]cc(-c4cccc(F)c4)c23)cc1
InChIInChI=1S/C20H16FN3/c21-16-3-1-2-15(10-16)18-12-24-20-19(18)17(8-9-23-20)14-6-4-13(11-22)5-7-14/h1-10,12H,11,22H2,(H,23,24)
InChIKeyAGOLISSFWDZPJJ-UHFFFAOYSA-N
XLogP4.49
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]methanamine?
The IUPAC name of [4-[3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]methanamine (CID 170449805) is [4-[3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]methanamine.
What is the SMILES notation for [4-[3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]methanamine?
The canonical SMILES for [4-[3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]methanamine is NCc1ccc(-c2ccnc3[nH]cc(-c4cccc(F)c4)c23)cc1.
What is the InChIKey of [4-[3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]methanamine?
The InChIKey is AGOLISSFWDZPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3/c21-16-3-1-2-15(10-16)18-12-24-20-19(18)17(8-9-23-20)14-6-4-13(11-22)5-7-14/h1-10,12H,11,22H2,(H,23,24).
What are the key properties of [4-[3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]methanamine?
[4-[3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]methanamine has a molecular weight of 317.37 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]methanamine is sourced from PubChem (CID 170449805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).