[3-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone

C27H24N2O5S — CID 170785546

IUPAC[3-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESCS(=O)(=O)c1ccc(-c2cc3nccc(-c4cccc(C(=O)N5C6CCC5COC6)c4)c3o2)cc1
InChIInChI=1S/C27H24N2O5S/c1-35(31,32)22-9-5-17(6-10-22)25-14-24-26(34-25)23(11-12-28-24)18-3-2-4-19(13-18)27(30)29-20-7-8-21(29)16-33-15-20/h2-6,9-14,20-21H,7-8,15-16H2,1H3
InChIKeyZDTBZWAVPSYGNL-UHFFFAOYSA-N
MW488.57 g/mol
LogP4.57
Rot. Bonds4

About [3-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone

[3-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 170785546) has the molecular formula C27H24N2O5S and a molecular weight of 488.57 g/mol. Its IUPAC name is [3-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name[3-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID170785546
Molecular FormulaC27H24N2O5S
Molecular Weight488.57 g/mol
Exact Mass488.14
IUPAC Name[3-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESCS(=O)(=O)c1ccc(-c2cc3nccc(-c4cccc(C(=O)N5C6CCC5COC6)c4)c3o2)cc1
InChIInChI=1S/C27H24N2O5S/c1-35(31,32)22-9-5-17(6-10-22)25-14-24-26(34-25)23(11-12-28-24)18-3-2-4-19(13-18)27(30)29-20-7-8-21(29)16-33-15-20/h2-6,9-14,20-21H,7-8,15-16H2,1H3
InChIKeyZDTBZWAVPSYGNL-UHFFFAOYSA-N
XLogP4.57
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone with MolForge

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Related Compounds

(3,5-dimethylmorpholin-4-yl)-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone
CID 170785231
[3-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(2-oxa-7-azaspiro[3.4]octan-7-yl)methanone
CID 170785480
[(3R)-3-methylmorpholin-4-yl]-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone
CID 170785322
(3-methylmorpholin-4-yl)-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone
CID 174249663
[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 170785587
2-[1-[4-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]-2-pyridinyl]piperidin-4-yl]propan-2-ol
CID 170785472
[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
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
7-(2-methoxy-4-pyridinyl)-2-(4-methylsulfonylphenyl)furo[3,2-b]pyridine
CID 170785545
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-[2-(4-methylsulfinylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone
CID 170785539
N,N-dimethyl-3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]benzamide
CID 170785533
N-(2-hydroxyethyl)-4-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]pyridine-2-carboxamide
CID 170785503

Frequently Asked Questions

What is the IUPAC name of [3-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of [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) is [3-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for [3-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for [3-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone is CS(=O)(=O)c1ccc(-c2cc3nccc(-c4cccc(C(=O)N5C6CCC5COC6)c4)c3o2)cc1.
What is the InChIKey of [3-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is ZDTBZWAVPSYGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O5S/c1-35(31,32)22-9-5-17(6-10-22)25-14-24-26(34-25)23(11-12-28-24)18-3-2-4-19(13-18)27(30)29-20-7-8-21(29)16-33-15-20/h2-6,9-14,20-21H,7-8,15-16H2,1H3.
What are the key properties of [3-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone?
[3-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 488.57 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 170785546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).