[2-fluoro-5-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(2-oxa-5-azabicyclo[2.2.0]hexan-5-yl)methanone

C25H19FN2O5S — CID 170785203

IUPAC[2-fluoro-5-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(2-oxa-5-azabicyclo[2.2.0]hexan-5-yl)methanone
SMILESCS(=O)(=O)c1ccc(-c2cc3nccc(-c4ccc(F)c(C(=O)N5CC6OCC65)c4)c3o2)cc1
InChIInChI=1S/C25H19FN2O5S/c1-34(30,31)16-5-2-14(3-6-16)22-11-20-24(33-22)17(8-9-27-20)15-4-7-19(26)18(10-15)25(29)28-12-23-21(28)13-32-23/h2-11,21,23H,12-13H2,1H3
InChIKeyKAPGIOHIDBVNDJ-UHFFFAOYSA-N
MW478.50 g/mol
LogP3.93
Rot. Bonds4

About [2-fluoro-5-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(2-oxa-5-azabicyclo[2.2.0]hexan-5-yl)methanone

[2-fluoro-5-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(2-oxa-5-azabicyclo[2.2.0]hexan-5-yl)methanone (PubChem CID 170785203) has the molecular formula C25H19FN2O5S and a molecular weight of 478.50 g/mol. Its IUPAC name is [2-fluoro-5-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(2-oxa-5-azabicyclo[2.2.0]hexan-5-yl)methanone.

Molecular Properties

Compound Name[2-fluoro-5-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(2-oxa-5-azabicyclo[2.2.0]hexan-5-yl)methanone
PubChem CID170785203
Molecular FormulaC25H19FN2O5S
Molecular Weight478.50 g/mol
Exact Mass478.10
IUPAC Name[2-fluoro-5-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(2-oxa-5-azabicyclo[2.2.0]hexan-5-yl)methanone
SMILESCS(=O)(=O)c1ccc(-c2cc3nccc(-c4ccc(F)c(C(=O)N5CC6OCC65)c4)c3o2)cc1
InChIInChI=1S/C25H19FN2O5S/c1-34(30,31)16-5-2-14(3-6-16)22-11-20-24(33-22)17(8-9-27-20)15-4-7-19(26)18(10-15)25(29)28-12-23-21(28)13-32-23/h2-11,21,23H,12-13H2,1H3
InChIKeyKAPGIOHIDBVNDJ-UHFFFAOYSA-N
XLogP3.93
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.50
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-fluoro-5-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(2-oxa-5-azabicyclo[2.2.0]hexan-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 170785546
2-(4-methylsulfonylphenyl)-7-[2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-pyridinyl]furo[3,2-b]pyridine
CID 170785489
N-(2-hydroxyethyl)-4-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]pyridine-2-carboxamide
CID 170785503
7-(2-methoxy-4-pyridinyl)-2-(4-methylsulfonylphenyl)furo[3,2-b]pyridine
CID 170785545
2-[1-[4-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]-2-pyridinyl]piperidin-4-yl]propan-2-ol
CID 170785472
[3-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(2-oxa-7-azaspiro[3.4]octan-7-yl)methanone
CID 170785480
(3,5-dimethylmorpholin-4-yl)-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone
CID 170785231
4-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]benzoic acid
CID 149319880
2-[4-[2-(2-methyl-4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]-2-pyridinyl]propan-2-ol
CID 170785473
[(3R)-3-methylmorpholin-4-yl]-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone
CID 170785322
[2,6-difluoro-3-[2-(3-fluoro-4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-[(2R)-2-methyl-7-oxa-4-azatricyclo[3.2.0.01,3]heptan-4-yl]methanone
CID 174249755
[3-[2-(6-tert-butylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone
CID 170785217

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(2-oxa-5-azabicyclo[2.2.0]hexan-5-yl)methanone?
The IUPAC name of [2-fluoro-5-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(2-oxa-5-azabicyclo[2.2.0]hexan-5-yl)methanone (CID 170785203) is [2-fluoro-5-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(2-oxa-5-azabicyclo[2.2.0]hexan-5-yl)methanone.
What is the SMILES notation for [2-fluoro-5-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(2-oxa-5-azabicyclo[2.2.0]hexan-5-yl)methanone?
The canonical SMILES for [2-fluoro-5-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(2-oxa-5-azabicyclo[2.2.0]hexan-5-yl)methanone is CS(=O)(=O)c1ccc(-c2cc3nccc(-c4ccc(F)c(C(=O)N5CC6OCC65)c4)c3o2)cc1.
What is the InChIKey of [2-fluoro-5-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(2-oxa-5-azabicyclo[2.2.0]hexan-5-yl)methanone?
The InChIKey is KAPGIOHIDBVNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2O5S/c1-34(30,31)16-5-2-14(3-6-16)22-11-20-24(33-22)17(8-9-27-20)15-4-7-19(26)18(10-15)25(29)28-12-23-21(28)13-32-23/h2-11,21,23H,12-13H2,1H3.
What are the key properties of [2-fluoro-5-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(2-oxa-5-azabicyclo[2.2.0]hexan-5-yl)methanone?
[2-fluoro-5-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(2-oxa-5-azabicyclo[2.2.0]hexan-5-yl)methanone has a molecular weight of 478.50 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(2-oxa-5-azabicyclo[2.2.0]hexan-5-yl)methanone is sourced from PubChem (CID 170785203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).