[3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

C19H17FIN3O3 — CID 25012180

IUPAC[3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1oc2ccncc2c1Nc1ccc(I)cc1F)N1CCC[C@@H]1CO
InChIInChI=1S/C19H17FIN3O3/c20-14-8-11(21)3-4-15(14)23-17-13-9-22-6-5-16(13)27-18(17)19(26)24-7-1-2-12(24)10-25/h3-6,8-9,12,23,25H,1-2,7,10H2/t12-/m1/s1
InChIKeyACUAULRMWMUOJQ-GFCCVEGCSA-N
MW481.27 g/mol
LogP3.91
Rot. Bonds4

About [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

[3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 25012180) has the molecular formula C19H17FIN3O3 and a molecular weight of 481.27 g/mol. Its IUPAC name is [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID25012180
Molecular FormulaC19H17FIN3O3
Molecular Weight481.27 g/mol
Exact Mass481.03
IUPAC Name[3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1oc2ccncc2c1Nc1ccc(I)cc1F)N1CCC[C@@H]1CO
InChIInChI=1S/C19H17FIN3O3/c20-14-8-11(21)3-4-15(14)23-17-13-9-22-6-5-16(13)27-18(17)19(26)24-7-1-2-12(24)10-25/h3-6,8-9,12,23,25H,1-2,7,10H2/t12-/m1/s1
InChIKeyACUAULRMWMUOJQ-GFCCVEGCSA-N
XLogP3.91
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.27
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 25012180) is [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is O=C(c1oc2ccncc2c1Nc1ccc(I)cc1F)N1CCC[C@@H]1CO.
What is the InChIKey of [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is ACUAULRMWMUOJQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17FIN3O3/c20-14-8-11(21)3-4-15(14)23-17-13-9-22-6-5-16(13)27-18(17)19(26)24-7-1-2-12(24)10-25/h3-6,8-9,12,23,25H,1-2,7,10H2/t12-/m1/s1.
What are the key properties of [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
[3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 481.27 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 25012180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).