2-[4-[2-(2-methyl-4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]-2-pyridinyl]propan-2-ol

C23H22N2O4S — CID 170785473

IUPAC2-[4-[2-(2-methyl-4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]-2-pyridinyl]propan-2-ol
SMILESCc1cc(S(C)(=O)=O)ccc1-c1cc2nccc(-c3ccnc(C(C)(C)O)c3)c2o1
InChIInChI=1S/C23H22N2O4S/c1-14-11-16(30(4,27)28)5-6-17(14)20-13-19-22(29-20)18(8-10-24-19)15-7-9-25-21(12-15)23(2,3)26/h5-13,26H,1-4H3
InChIKeyORJHLZYGJYYDCX-UHFFFAOYSA-N
MW422.51 g/mol
LogP4.50
Rot. Bonds4

About 2-[4-[2-(2-methyl-4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]-2-pyridinyl]propan-2-ol

2-[4-[2-(2-methyl-4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]-2-pyridinyl]propan-2-ol (PubChem CID 170785473) has the molecular formula C23H22N2O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is 2-[4-[2-(2-methyl-4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[2-(2-methyl-4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]-2-pyridinyl]propan-2-ol
PubChem CID170785473
Molecular FormulaC23H22N2O4S
Molecular Weight422.51 g/mol
Exact Mass422.13
IUPAC Name2-[4-[2-(2-methyl-4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]-2-pyridinyl]propan-2-ol
SMILESCc1cc(S(C)(=O)=O)ccc1-c1cc2nccc(-c3ccnc(C(C)(C)O)c3)c2o1
InChIInChI=1S/C23H22N2O4S/c1-14-11-16(30(4,27)28)5-6-17(14)20-13-19-22(29-20)18(8-10-24-19)15-7-9-25-21(12-15)23(2,3)26/h5-13,26H,1-4H3
InChIKeyORJHLZYGJYYDCX-UHFFFAOYSA-N
XLogP4.50
TPSA93.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[2-[4-[(R)-methylsulfinyl]phenyl]furo[3,2-b]pyridin-7-yl]-2-pyridinyl]propan-2-ol
CID 170785225
2-[1-[4-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]-2-pyridinyl]piperidin-4-yl]propan-2-ol
CID 170785472
7-(2-methoxy-4-pyridinyl)-2-(4-methylsulfonylphenyl)furo[3,2-b]pyridine
CID 170785545
N-(2-hydroxyethyl)-4-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]pyridine-2-carboxamide
CID 170785503
2-[2-fluoro-3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]propan-2-ol
CID 170785385
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
[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
[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-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 170785546
N,N-dimethyl-3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]benzamide
CID 170785533
[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 170785587
7-(3-tert-butylphenyl)-2-(4-methylsulfinylphenyl)furo[3,2-b]pyridine
CID 170785171

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-methyl-4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[4-[2-(2-methyl-4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]-2-pyridinyl]propan-2-ol (CID 170785473) is 2-[4-[2-(2-methyl-4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[4-[2-(2-methyl-4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[4-[2-(2-methyl-4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]-2-pyridinyl]propan-2-ol is Cc1cc(S(C)(=O)=O)ccc1-c1cc2nccc(-c3ccnc(C(C)(C)O)c3)c2o1.
What is the InChIKey of 2-[4-[2-(2-methyl-4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]-2-pyridinyl]propan-2-ol?
The InChIKey is ORJHLZYGJYYDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S/c1-14-11-16(30(4,27)28)5-6-17(14)20-13-19-22(29-20)18(8-10-24-19)15-7-9-25-21(12-15)23(2,3)26/h5-13,26H,1-4H3.
What are the key properties of 2-[4-[2-(2-methyl-4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]-2-pyridinyl]propan-2-ol?
2-[4-[2-(2-methyl-4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]-2-pyridinyl]propan-2-ol has a molecular weight of 422.51 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-methyl-4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 170785473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).