5-[3-carbamoyl-6-chloro-2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]pyridine-3-carboxylic acid

C20H11ClFN3O4 — CID 123752022

IUPAC5-[3-carbamoyl-6-chloro-2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]pyridine-3-carboxylic acid
SMILESNC(=O)c1c(-c2ccc(F)cc2)oc2nc(Cl)c(-c3cncc(C(=O)O)c3)cc12
InChIInChI=1S/C20H11ClFN3O4/c21-17-13(10-5-11(20(27)28)8-24-7-10)6-14-15(18(23)26)16(29-19(14)25-17)9-1-3-12(22)4-2-9/h1-8H,(H2,23,26)(H,27,28)
InChIKeyUDQYHGWBNJANGU-UHFFFAOYSA-N
MW411.78 g/mol
LogP4.15
Rot. Bonds4

About 5-[3-carbamoyl-6-chloro-2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]pyridine-3-carboxylic acid

5-[3-carbamoyl-6-chloro-2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]pyridine-3-carboxylic acid (PubChem CID 123752022) has the molecular formula C20H11ClFN3O4 and a molecular weight of 411.78 g/mol. Its IUPAC name is 5-[3-carbamoyl-6-chloro-2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[3-carbamoyl-6-chloro-2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]pyridine-3-carboxylic acid
PubChem CID123752022
Molecular FormulaC20H11ClFN3O4
Molecular Weight411.78 g/mol
Exact Mass411.04
IUPAC Name5-[3-carbamoyl-6-chloro-2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]pyridine-3-carboxylic acid
SMILESNC(=O)c1c(-c2ccc(F)cc2)oc2nc(Cl)c(-c3cncc(C(=O)O)c3)cc12
InChIInChI=1S/C20H11ClFN3O4/c21-17-13(10-5-11(20(27)28)8-24-7-10)6-14-15(18(23)26)16(29-19(14)25-17)9-1-3-12(22)4-2-9/h1-8H,(H2,23,26)(H,27,28)
InChIKeyUDQYHGWBNJANGU-UHFFFAOYSA-N
XLogP4.15
TPSA119.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.78
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[6-chloro-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-b]pyridin-5-yl]-4-fluorobenzoic acid
CID 118390591
6-chloro-5-[3-[[1,3-difluoro-2-(fluoromethyl)propan-2-yl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 118896101
5-(4-fluorophenyl)pyridine-3-carboxamide
CID 71303524
6-chloro-5-(4-fluorophenyl)pyridine-3-carboxylic acid
CID 46313827
6-chloro-5-[3-[(1-cyanocyclopentyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 118391949
4-[2-(4-fluorophenyl)-3-methoxycarbonylfuro[2,3-b]pyridin-5-yl]benzoic acid
CID 150534684
5-(3-acetylbenzene-4-id-1-yl)-6-chloro-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-bromo-6-chloro-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;1-(3-methylbenzene-6-id-1-yl)ethanone;bis(yttrium)
CID 158884596
5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridin-5-yl]-2-methoxypyridine-3-carboxylic acid
CID 90441746
6-chloro-2-(4-fluorophenyl)-5-(3-formyl-4-methoxyphenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-amine
CID 145014859
6-chloro-5-[3-(3,3-dimethylpent-4-ynoyl)-4-methoxyphenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 152795669
2-(4-fluorophenyl)-5-(hydroxymethyl)furo[2,3-c]pyridine-3-carboxamide
CID 91079411
5-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 71303513

Frequently Asked Questions

What is the IUPAC name of 5-[3-carbamoyl-6-chloro-2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[3-carbamoyl-6-chloro-2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]pyridine-3-carboxylic acid (CID 123752022) is 5-[3-carbamoyl-6-chloro-2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[3-carbamoyl-6-chloro-2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[3-carbamoyl-6-chloro-2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]pyridine-3-carboxylic acid is NC(=O)c1c(-c2ccc(F)cc2)oc2nc(Cl)c(-c3cncc(C(=O)O)c3)cc12.
What is the InChIKey of 5-[3-carbamoyl-6-chloro-2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]pyridine-3-carboxylic acid?
The InChIKey is UDQYHGWBNJANGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClFN3O4/c21-17-13(10-5-11(20(27)28)8-24-7-10)6-14-15(18(23)26)16(29-19(14)25-17)9-1-3-12(22)4-2-9/h1-8H,(H2,23,26)(H,27,28).
What are the key properties of 5-[3-carbamoyl-6-chloro-2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]pyridine-3-carboxylic acid?
5-[3-carbamoyl-6-chloro-2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]pyridine-3-carboxylic acid has a molecular weight of 411.78 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-carbamoyl-6-chloro-2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 123752022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).