7-[2-[(3,5-difluoro-4-pyridinyl)oxy]-5-(2-hydroxypropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one

C22H18F2N2O3S — CID 155457566

IUPAC7-[2-[(3,5-difluoro-4-pyridinyl)oxy]-5-(2-hydroxypropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one
SMILESCn1cc(-c2cc(C(C)(C)O)ccc2Oc2c(F)cncc2F)c2sccc2c1=O
InChIInChI=1S/C22H18F2N2O3S/c1-22(2,28)12-4-5-18(29-19-16(23)9-25-10-17(19)24)14(8-12)15-11-26(3)21(27)13-6-7-30-20(13)15/h4-11,28H,1-3H3
InChIKeyKSXTWQCDWJQBBP-UHFFFAOYSA-N
MW428.46 g/mol
LogP4.96
Rot. Bonds4

About 7-[2-[(3,5-difluoro-4-pyridinyl)oxy]-5-(2-hydroxypropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one

7-[2-[(3,5-difluoro-4-pyridinyl)oxy]-5-(2-hydroxypropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one (PubChem CID 155457566) has the molecular formula C22H18F2N2O3S and a molecular weight of 428.46 g/mol. Its IUPAC name is 7-[2-[(3,5-difluoro-4-pyridinyl)oxy]-5-(2-hydroxypropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name7-[2-[(3,5-difluoro-4-pyridinyl)oxy]-5-(2-hydroxypropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one
PubChem CID155457566
Molecular FormulaC22H18F2N2O3S
Molecular Weight428.46 g/mol
Exact Mass428.10
IUPAC Name7-[2-[(3,5-difluoro-4-pyridinyl)oxy]-5-(2-hydroxypropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one
SMILESCn1cc(-c2cc(C(C)(C)O)ccc2Oc2c(F)cncc2F)c2sccc2c1=O
InChIInChI=1S/C22H18F2N2O3S/c1-22(2,28)12-4-5-18(29-19-16(23)9-25-10-17(19)24)14(8-12)15-11-26(3)21(27)13-6-7-30-20(13)15/h4-11,28H,1-3H3
InChIKeyKSXTWQCDWJQBBP-UHFFFAOYSA-N
XLogP4.96
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[(3,5-difluoro-4-pyridinyl)oxy]-5-(2-hydroxypropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one?
The IUPAC name of 7-[2-[(3,5-difluoro-4-pyridinyl)oxy]-5-(2-hydroxypropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one (CID 155457566) is 7-[2-[(3,5-difluoro-4-pyridinyl)oxy]-5-(2-hydroxypropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 7-[2-[(3,5-difluoro-4-pyridinyl)oxy]-5-(2-hydroxypropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one?
The canonical SMILES for 7-[2-[(3,5-difluoro-4-pyridinyl)oxy]-5-(2-hydroxypropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one is Cn1cc(-c2cc(C(C)(C)O)ccc2Oc2c(F)cncc2F)c2sccc2c1=O.
What is the InChIKey of 7-[2-[(3,5-difluoro-4-pyridinyl)oxy]-5-(2-hydroxypropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one?
The InChIKey is KSXTWQCDWJQBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O3S/c1-22(2,28)12-4-5-18(29-19-16(23)9-25-10-17(19)24)14(8-12)15-11-26(3)21(27)13-6-7-30-20(13)15/h4-11,28H,1-3H3.
What are the key properties of 7-[2-[(3,5-difluoro-4-pyridinyl)oxy]-5-(2-hydroxypropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one?
7-[2-[(3,5-difluoro-4-pyridinyl)oxy]-5-(2-hydroxypropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one has a molecular weight of 428.46 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(3,5-difluoro-4-pyridinyl)oxy]-5-(2-hydroxypropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 155457566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).