[3-(4-bromo-2-fluoroanilino)furo[3,2-c]pyridin-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

C18H15BrFN3O3 — CID 25011842

IUPAC[3-(4-bromo-2-fluoroanilino)furo[3,2-c]pyridin-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1oc2ccncc2c1Nc1ccc(Br)cc1F)N1CC[C@@H](O)C1
InChIInChI=1S/C18H15BrFN3O3/c19-10-1-2-14(13(20)7-10)22-16-12-8-21-5-3-15(12)26-17(16)18(25)23-6-4-11(24)9-23/h1-3,5,7-8,11,22,24H,4,6,9H2/t11-/m1/s1
InChIKeyJIVIMAOZKXDAEQ-LLVKDONJSA-N
MW420.24 g/mol
LogP3.68
Rot. Bonds3

About [3-(4-bromo-2-fluoroanilino)furo[3,2-c]pyridin-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

[3-(4-bromo-2-fluoroanilino)furo[3,2-c]pyridin-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 25011842) has the molecular formula C18H15BrFN3O3 and a molecular weight of 420.24 g/mol. Its IUPAC name is [3-(4-bromo-2-fluoroanilino)furo[3,2-c]pyridin-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-bromo-2-fluoroanilino)furo[3,2-c]pyridin-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID25011842
Molecular FormulaC18H15BrFN3O3
Molecular Weight420.24 g/mol
Exact Mass419.03
IUPAC Name[3-(4-bromo-2-fluoroanilino)furo[3,2-c]pyridin-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1oc2ccncc2c1Nc1ccc(Br)cc1F)N1CC[C@@H](O)C1
InChIInChI=1S/C18H15BrFN3O3/c19-10-1-2-14(13(20)7-10)22-16-12-8-21-5-3-15(12)26-17(16)18(25)23-6-4-11(24)9-23/h1-3,5,7-8,11,22,24H,4,6,9H2/t11-/m1/s1
InChIKeyJIVIMAOZKXDAEQ-LLVKDONJSA-N
XLogP3.68
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.24
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(4-bromo-2-fluoroanilino)furo[3,2-c]pyridin-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of [3-(4-bromo-2-fluoroanilino)furo[3,2-c]pyridin-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (CID 25011842) is [3-(4-bromo-2-fluoroanilino)furo[3,2-c]pyridin-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-(4-bromo-2-fluoroanilino)furo[3,2-c]pyridin-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for [3-(4-bromo-2-fluoroanilino)furo[3,2-c]pyridin-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is O=C(c1oc2ccncc2c1Nc1ccc(Br)cc1F)N1CC[C@@H](O)C1.
What is the InChIKey of [3-(4-bromo-2-fluoroanilino)furo[3,2-c]pyridin-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is JIVIMAOZKXDAEQ-LLVKDONJSA-N. The full InChI is InChI=1S/C18H15BrFN3O3/c19-10-1-2-14(13(20)7-10)22-16-12-8-21-5-3-15(12)26-17(16)18(25)23-6-4-11(24)9-23/h1-3,5,7-8,11,22,24H,4,6,9H2/t11-/m1/s1.
What are the key properties of [3-(4-bromo-2-fluoroanilino)furo[3,2-c]pyridin-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
[3-(4-bromo-2-fluoroanilino)furo[3,2-c]pyridin-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 420.24 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromo-2-fluoroanilino)furo[3,2-c]pyridin-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 25011842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).