2-[4-[2-[4-[(R)-methylsulfinyl]phenyl]furo[3,2-b]pyridin-7-yl]-2-pyridinyl]propan-2-ol

C22H20N2O3S — CID 170785225

IUPAC2-[4-[2-[4-[(R)-methylsulfinyl]phenyl]furo[3,2-b]pyridin-7-yl]-2-pyridinyl]propan-2-ol
SMILESC[S@@](=O)c1ccc(-c2cc3nccc(-c4ccnc(C(C)(C)O)c4)c3o2)cc1
InChIInChI=1S/C22H20N2O3S/c1-22(2,25)20-12-15(8-10-24-20)17-9-11-23-18-13-19(27-21(17)18)14-4-6-16(7-5-14)28(3)26/h4-13,25H,1-3H3/t28-/m1/s1
InChIKeyXEPKEAUABYMCAG-MUUNZHRXSA-N
MW392.48 g/mol
LogP4.52
Rot. Bonds4

About 2-[4-[2-[4-[(R)-methylsulfinyl]phenyl]furo[3,2-b]pyridin-7-yl]-2-pyridinyl]propan-2-ol

2-[4-[2-[4-[(R)-methylsulfinyl]phenyl]furo[3,2-b]pyridin-7-yl]-2-pyridinyl]propan-2-ol (PubChem CID 170785225) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-[4-[2-[4-[(R)-methylsulfinyl]phenyl]furo[3,2-b]pyridin-7-yl]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[2-[4-[(R)-methylsulfinyl]phenyl]furo[3,2-b]pyridin-7-yl]-2-pyridinyl]propan-2-ol
PubChem CID170785225
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name2-[4-[2-[4-[(R)-methylsulfinyl]phenyl]furo[3,2-b]pyridin-7-yl]-2-pyridinyl]propan-2-ol
SMILESC[S@@](=O)c1ccc(-c2cc3nccc(-c4ccnc(C(C)(C)O)c4)c3o2)cc1
InChIInChI=1S/C22H20N2O3S/c1-22(2,25)20-12-15(8-10-24-20)17-9-11-23-18-13-19(27-21(17)18)14-4-6-16(7-5-14)28(3)26/h4-13,25H,1-3H3/t28-/m1/s1
InChIKeyXEPKEAUABYMCAG-MUUNZHRXSA-N
XLogP4.52
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-[(R)-methylsulfinyl]phenyl]furo[3,2-b]pyridin-7-yl]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[4-[2-[4-[(R)-methylsulfinyl]phenyl]furo[3,2-b]pyridin-7-yl]-2-pyridinyl]propan-2-ol (CID 170785225) is 2-[4-[2-[4-[(R)-methylsulfinyl]phenyl]furo[3,2-b]pyridin-7-yl]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[4-[2-[4-[(R)-methylsulfinyl]phenyl]furo[3,2-b]pyridin-7-yl]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[4-[2-[4-[(R)-methylsulfinyl]phenyl]furo[3,2-b]pyridin-7-yl]-2-pyridinyl]propan-2-ol is C[S@@](=O)c1ccc(-c2cc3nccc(-c4ccnc(C(C)(C)O)c4)c3o2)cc1.
What is the InChIKey of 2-[4-[2-[4-[(R)-methylsulfinyl]phenyl]furo[3,2-b]pyridin-7-yl]-2-pyridinyl]propan-2-ol?
The InChIKey is XEPKEAUABYMCAG-MUUNZHRXSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-22(2,25)20-12-15(8-10-24-20)17-9-11-23-18-13-19(27-21(17)18)14-4-6-16(7-5-14)28(3)26/h4-13,25H,1-3H3/t28-/m1/s1.
What are the key properties of 2-[4-[2-[4-[(R)-methylsulfinyl]phenyl]furo[3,2-b]pyridin-7-yl]-2-pyridinyl]propan-2-ol?
2-[4-[2-[4-[(R)-methylsulfinyl]phenyl]furo[3,2-b]pyridin-7-yl]-2-pyridinyl]propan-2-ol has a molecular weight of 392.48 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-[(R)-methylsulfinyl]phenyl]furo[3,2-b]pyridin-7-yl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 170785225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).