N-(azetidin-3-yloxy)-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide

C17H14FIN4O3 — CID 25013799

IUPACN-(azetidin-3-yloxy)-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NOC1CNC1)c1oc2ccncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C17H14FIN4O3/c18-12-5-9(19)1-2-13(12)22-15-11-8-20-4-3-14(11)25-16(15)17(24)23-26-10-6-21-7-10/h1-5,8,10,21-22H,6-7H2,(H,23,24)
InChIKeyLVBMSDYLFIKCSK-UHFFFAOYSA-N
MW468.23 g/mol
LogP2.95
Rot. Bonds5

About N-(azetidin-3-yloxy)-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide

N-(azetidin-3-yloxy)-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide (PubChem CID 25013799) has the molecular formula C17H14FIN4O3 and a molecular weight of 468.23 g/mol. Its IUPAC name is N-(azetidin-3-yloxy)-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(azetidin-3-yloxy)-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide
PubChem CID25013799
Molecular FormulaC17H14FIN4O3
Molecular Weight468.23 g/mol
Exact Mass468.01
IUPAC NameN-(azetidin-3-yloxy)-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NOC1CNC1)c1oc2ccncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C17H14FIN4O3/c18-12-5-9(19)1-2-13(12)22-15-11-8-20-4-3-14(11)25-16(15)17(24)23-26-10-6-21-7-10/h1-5,8,10,21-22H,6-7H2,(H,23,24)
InChIKeyLVBMSDYLFIKCSK-UHFFFAOYSA-N
XLogP2.95
TPSA88.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.23
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2-fluoro-4-iodoanilino)-N-phenylmethoxyfuro[3,2-c]pyridine-2-carboxamide
CID 25013801
7-chloro-3-(2-fluoro-4-iodoanilino)-N-[(3S)-pyrrolidin-3-yl]oxyfuro[3,2-c]pyridine-2-carboxamide
CID 59704746
3-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-N-methylfuro[3,2-c]pyridine-2-carboxamide
CID 59704658
3-(4-bromo-2-fluoroanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide
CID 25013474
3-(2,5-difluoro-4-iodoanilino)-N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]furo[3,2-c]pyridine-2-carboxamide
CID 59704573
3-[(2-fluoro-4-iodocyclohexa-2,4-dien-1-yl)amino]-N-pyrrolidin-3-yloxyfuro[3,2-c]pyridine-2-carboxamide
CID 88886034
3-(2-fluoro-4-iodoanilino)-1-methyl-N-piperidin-4-yloxypyrrolo[3,2-c]pyridine-2-carboxamide;formic acid
CID 160811478
3-(2,5-difluoro-4-iodoanilino)-N-(3-hydroxypropoxy)furo[3,2-c]pyridine-2-carboxamide
CID 88885981
ethane;3-(2-fluoro-4-methylanilino)-N-(2-hydroxypropoxy)furo[3,2-c]pyridine-2-carboxamide
CID 143636209
3-(2,6-difluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylic acid
CID 69035529
ethane;3-(2-fluoro-4-methylanilino)-N-(2-hydroxyethyl)furo[3,2-c]pyridine-2-carboxamide
CID 143636022
[3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl] N-(2-piperidin-1-ylethoxy)carbamate
CID 87407136

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yloxy)-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-(azetidin-3-yloxy)-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide (CID 25013799) is N-(azetidin-3-yloxy)-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-(azetidin-3-yloxy)-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-(azetidin-3-yloxy)-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide is O=C(NOC1CNC1)c1oc2ccncc2c1Nc1ccc(I)cc1F.
What is the InChIKey of N-(azetidin-3-yloxy)-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide?
The InChIKey is LVBMSDYLFIKCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FIN4O3/c18-12-5-9(19)1-2-13(12)22-15-11-8-20-4-3-14(11)25-16(15)17(24)23-26-10-6-21-7-10/h1-5,8,10,21-22H,6-7H2,(H,23,24).
What are the key properties of N-(azetidin-3-yloxy)-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide?
N-(azetidin-3-yloxy)-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide has a molecular weight of 468.23 g/mol, XLogP of 2.95, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yloxy)-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 25013799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).