7-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C20H16FN3O2S — CID 137429638

IUPAC7-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCC(C)(O)c1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c(F)c1
InChIInChI=1S/C20H16FN3O2S/c1-20(2,26)11-6-7-12(14(21)9-11)13-10-27-17-16(13)23-18(24-19(17)25)15-5-3-4-8-22-15/h3-10,26H,1-2H3,(H,23,24,25)
InChIKeyNLUJJPSHRQBFMJ-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.08
Rot. Bonds3

About 7-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

7-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137429638) has the molecular formula C20H16FN3O2S and a molecular weight of 381.43 g/mol. Its IUPAC name is 7-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID137429638
Molecular FormulaC20H16FN3O2S
Molecular Weight381.43 g/mol
Exact Mass381.09
IUPAC Name7-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCC(C)(O)c1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c(F)c1
InChIInChI=1S/C20H16FN3O2S/c1-20(2,26)11-6-7-12(14(21)9-11)13-10-27-17-16(13)23-18(24-19(17)25)15-5-3-4-8-22-15/h3-10,26H,1-2H3,(H,23,24,25)
InChIKeyNLUJJPSHRQBFMJ-UHFFFAOYSA-N
XLogP4.08
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-phenyl-2-(2-pyridinyl)thieno[2,3-d]pyrimidin-4(3H)-one
CID 852973
4-[[(6-Thiophen-2-ylpyridine-3-carbonyl)amino]methyl]benzoic acid
CID 54760398
7-(3-fluorophenyl)-3-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-4(3H)-one
CID 30849298
7-(4-fluorophenyl)-3-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-4(3H)-one
CID 45501528
US10940139, Example 02901
CID 137429585
US10940139, Example 02900
CID 137429816
7-(4-Methylphenyl)-3-[(pyridin-2-YL)methyl]-3H,4H-thieno[3,2-D]pyrimidin-4-one
CID 53035228
N-[(4-fluorophenyl)methyl]-2-[[[(2R)-2-hydroxy-2-pyridin-2-ylethyl]-methylamino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide
CID 10174385
N-[(4-fluorophenyl)methyl]-2-[[(2-hydroxy-2-pyridin-2-ylethyl)-methylamino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide
CID 22574312
5-[2,6-Difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 25123484
5-[2,6-Difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(1,3-thiazol-2-ylamino)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
CID 25126164
5-[2,6-Difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-(pyridin-4-ylamino)thiophene-3-carboxamide
CID 44610211

Frequently Asked Questions

What is the IUPAC name of 7-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 137429638) is 7-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is CC(C)(O)c1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c(F)c1.
What is the InChIKey of 7-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is NLUJJPSHRQBFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2S/c1-20(2,26)11-6-7-12(14(21)9-11)13-10-27-17-16(13)23-18(24-19(17)25)15-5-3-4-8-22-15/h3-10,26H,1-2H3,(H,23,24,25).
What are the key properties of 7-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
7-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 381.43 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137429638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).