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

C18H16FIN4O2 — CID 67454424

IUPAC(3-aminopyrrolidin-1-yl)-[3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]methanone
SMILESNC1CCN(C(=O)c2oc3ccncc3c2Nc2ccc(I)cc2F)C1
InChIInChI=1S/C18H16FIN4O2/c19-13-7-10(20)1-2-14(13)23-16-12-8-22-5-3-15(12)26-17(16)18(25)24-6-4-11(21)9-24/h1-3,5,7-8,11,23H,4,6,9,21H2
InChIKeyOPZSDULFALEBHR-UHFFFAOYSA-N
MW466.25 g/mol
LogP3.49
Rot. Bonds3

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

(3-aminopyrrolidin-1-yl)-[3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]methanone (PubChem CID 67454424) has the molecular formula C18H16FIN4O2 and a molecular weight of 466.25 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-[3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]methanone.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-[3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]methanone
PubChem CID67454424
Molecular FormulaC18H16FIN4O2
Molecular Weight466.25 g/mol
Exact Mass466.03
IUPAC Name(3-aminopyrrolidin-1-yl)-[3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]methanone
SMILESNC1CCN(C(=O)c2oc3ccncc3c2Nc2ccc(I)cc2F)C1
InChIInChI=1S/C18H16FIN4O2/c19-13-7-10(20)1-2-14(13)23-16-12-8-22-5-3-15(12)26-17(16)18(25)24-6-4-11(21)9-24/h1-3,5,7-8,11,23H,4,6,9,21H2
InChIKeyOPZSDULFALEBHR-UHFFFAOYSA-N
XLogP3.49
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.25
LogP ≤ 53.49
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-aminopyrrolidin-1-yl)-[3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]methanone?
The IUPAC name of (3-aminopyrrolidin-1-yl)-[3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]methanone (CID 67454424) is (3-aminopyrrolidin-1-yl)-[3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]methanone.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-[3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]methanone?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-[3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]methanone is NC1CCN(C(=O)c2oc3ccncc3c2Nc2ccc(I)cc2F)C1.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-[3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]methanone?
The InChIKey is OPZSDULFALEBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FIN4O2/c19-13-7-10(20)1-2-14(13)23-16-12-8-22-5-3-15(12)26-17(16)18(25)24-6-4-11(21)9-24/h1-3,5,7-8,11,23H,4,6,9,21H2.
What are the key properties of (3-aminopyrrolidin-1-yl)-[3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]methanone?
(3-aminopyrrolidin-1-yl)-[3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]methanone has a molecular weight of 466.25 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-[3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]methanone is sourced from PubChem (CID 67454424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).