2-[2-fluoro-3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]propan-2-ol

C22H19FN2O4S — CID 170785385

IUPAC2-[2-fluoro-3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1cccc(-c2ccnc3cc(-c4ccc(S(C)(=O)=O)nc4)oc23)c1F
InChIInChI=1S/C22H19FN2O4S/c1-22(2,26)16-6-4-5-14(20(16)23)15-9-10-24-17-11-18(29-21(15)17)13-7-8-19(25-12-13)30(3,27)28/h4-12,26H,1-3H3
InChIKeySATALUWEQHXSGQ-UHFFFAOYSA-N
MW426.47 g/mol
LogP4.33
Rot. Bonds4

About 2-[2-fluoro-3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]propan-2-ol

2-[2-fluoro-3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]propan-2-ol (PubChem CID 170785385) has the molecular formula C22H19FN2O4S and a molecular weight of 426.47 g/mol. Its IUPAC name is 2-[2-fluoro-3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-fluoro-3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]propan-2-ol
PubChem CID170785385
Molecular FormulaC22H19FN2O4S
Molecular Weight426.47 g/mol
Exact Mass426.10
IUPAC Name2-[2-fluoro-3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1cccc(-c2ccnc3cc(-c4ccc(S(C)(=O)=O)nc4)oc23)c1F
InChIInChI=1S/C22H19FN2O4S/c1-22(2,26)16-6-4-5-14(20(16)23)15-9-10-24-17-11-18(29-21(15)17)13-7-8-19(25-12-13)30(3,27)28/h4-12,26H,1-3H3
InChIKeySATALUWEQHXSGQ-UHFFFAOYSA-N
XLogP4.33
TPSA93.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]propan-2-ol?
The IUPAC name of 2-[2-fluoro-3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]propan-2-ol (CID 170785385) is 2-[2-fluoro-3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[2-fluoro-3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]propan-2-ol?
The canonical SMILES for 2-[2-fluoro-3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]propan-2-ol is CC(C)(O)c1cccc(-c2ccnc3cc(-c4ccc(S(C)(=O)=O)nc4)oc23)c1F.
What is the InChIKey of 2-[2-fluoro-3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]propan-2-ol?
The InChIKey is SATALUWEQHXSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O4S/c1-22(2,26)16-6-4-5-14(20(16)23)15-9-10-24-17-11-18(29-21(15)17)13-7-8-19(25-12-13)30(3,27)28/h4-12,26H,1-3H3.
What are the key properties of 2-[2-fluoro-3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]propan-2-ol?
2-[2-fluoro-3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]propan-2-ol has a molecular weight of 426.47 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]propan-2-ol is sourced from PubChem (CID 170785385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).