7-[4-[(5-fluoro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridine-2-carboxylic acid

C23H18FN3O5 — CID 90198981

IUPAC7-[4-[(5-fluoro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridine-2-carboxylic acid
SMILESO=C(O)N1CCc2c(oc3cc(-n4ccc(OCc5ccc(F)cn5)cc4=O)ccc23)C1
InChIInChI=1S/C23H18FN3O5/c24-14-1-2-15(25-11-14)13-31-17-5-8-27(22(28)10-17)16-3-4-18-19-6-7-26(23(29)30)12-21(19)32-20(18)9-16/h1-5,8-11H,6-7,12-13H2,(H,29,30)
InChIKeyNQGPNIKPHSXZLT-UHFFFAOYSA-N
MW435.41 g/mol
LogP3.73
Rot. Bonds4

About 7-[4-[(5-fluoro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridine-2-carboxylic acid

7-[4-[(5-fluoro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridine-2-carboxylic acid (PubChem CID 90198981) has the molecular formula C23H18FN3O5 and a molecular weight of 435.41 g/mol. Its IUPAC name is 7-[4-[(5-fluoro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-[4-[(5-fluoro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridine-2-carboxylic acid
PubChem CID90198981
Molecular FormulaC23H18FN3O5
Molecular Weight435.41 g/mol
Exact Mass435.12
IUPAC Name7-[4-[(5-fluoro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridine-2-carboxylic acid
SMILESO=C(O)N1CCc2c(oc3cc(-n4ccc(OCc5ccc(F)cn5)cc4=O)ccc23)C1
InChIInChI=1S/C23H18FN3O5/c24-14-1-2-15(25-11-14)13-31-17-5-8-27(22(28)10-17)16-3-4-18-19-6-7-26(23(29)30)12-21(19)32-20(18)9-16/h1-5,8-11H,6-7,12-13H2,(H,29,30)
InChIKeyNQGPNIKPHSXZLT-UHFFFAOYSA-N
XLogP3.73
TPSA97.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[4-[(5-fluoro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

4-[(5-fluoro-2-pyridinyl)methoxy]-1-(2-propan-2-yl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one
CID 90201232
tert-butyl 9-[4-[(5-fluoro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-1,2,4,5-tetrahydro-[1]benzofuro[2,3-d]azepine-3-carboxylate
CID 86721607
4-[(5-fluoro-2-pyridinyl)methoxy]-1-(2-propan-2-yl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one;hydrochloride
CID 90201231
4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one;hydrochloride
CID 86721508
7-[4-[(5-fluoro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-1,3,4,5-tetrahydro-[1]benzothiolo[2,3-c]azepine-2-carboxylic acid
CID 90198723
1-(2-chloro-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepin-9-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one
CID 90208378
tert-butyl 8-[4-[(5-fluoro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-10-methyl-1,3,4,5-tetrahydroazepino[3,4-b]indole-2-carboxylate
CID 58093403
4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-oxa-16-azatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one
CID 76902829
1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one;methane
CID 161383241
tert-butyl 8-[4-[(5-fluoro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine-2-carboxylate
CID 86721578
1-[2-(cyclobutadienyl)-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl]-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one
CID 66874607
tert-butyl 7-[2-oxo-4-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1-pyridinyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine-2-carboxylate
CID 86721534

Frequently Asked Questions

What is the IUPAC name of 7-[4-[(5-fluoro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridine-2-carboxylic acid?
The IUPAC name of 7-[4-[(5-fluoro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridine-2-carboxylic acid (CID 90198981) is 7-[4-[(5-fluoro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 7-[4-[(5-fluoro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridine-2-carboxylic acid?
The canonical SMILES for 7-[4-[(5-fluoro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridine-2-carboxylic acid is O=C(O)N1CCc2c(oc3cc(-n4ccc(OCc5ccc(F)cn5)cc4=O)ccc23)C1.
What is the InChIKey of 7-[4-[(5-fluoro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridine-2-carboxylic acid?
The InChIKey is NQGPNIKPHSXZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O5/c24-14-1-2-15(25-11-14)13-31-17-5-8-27(22(28)10-17)16-3-4-18-19-6-7-26(23(29)30)12-21(19)32-20(18)9-16/h1-5,8-11H,6-7,12-13H2,(H,29,30).
What are the key properties of 7-[4-[(5-fluoro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridine-2-carboxylic acid?
7-[4-[(5-fluoro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridine-2-carboxylic acid has a molecular weight of 435.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[(5-fluoro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 90198981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).