(3,3-difluorocyclobutyl)-(6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)methanol

C16H13F2N3OS — CID 172542513

IUPAC(3,3-difluorocyclobutyl)-(6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)methanol
SMILESOC(c1cc2ccc(-c3cncnc3)nc2s1)C1CC(F)(F)C1
InChIInChI=1S/C16H13F2N3OS/c17-16(18)4-10(5-16)14(22)13-3-9-1-2-12(21-15(9)23-13)11-6-19-8-20-7-11/h1-3,6-8,10,14,22H,4-5H2
InChIKeyUVTQRVVLEAXLSC-UHFFFAOYSA-N
MW333.36 g/mol
LogP3.83
Rot. Bonds3

About (3,3-difluorocyclobutyl)-(6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)methanol

(3,3-difluorocyclobutyl)-(6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)methanol (PubChem CID 172542513) has the molecular formula C16H13F2N3OS and a molecular weight of 333.36 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)-(6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)methanol.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)-(6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)methanol
PubChem CID172542513
Molecular FormulaC16H13F2N3OS
Molecular Weight333.36 g/mol
Exact Mass333.07
IUPAC Name(3,3-difluorocyclobutyl)-(6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)methanol
SMILESOC(c1cc2ccc(-c3cncnc3)nc2s1)C1CC(F)(F)C1
InChIInChI=1S/C16H13F2N3OS/c17-16(18)4-10(5-16)14(22)13-3-9-1-2-12(21-15(9)23-13)11-6-19-8-20-7-11/h1-3,6-8,10,14,22H,4-5H2
InChIKeyUVTQRVVLEAXLSC-UHFFFAOYSA-N
XLogP3.83
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(2-Methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol
CID 172542130
5-Thieno[2,3-d]pyrimidin-6-yl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
CID 155553171
3-Pyrazin-2-yl-5-thieno[2,3-d]pyrimidin-6-yl-4,5-dihydro-1,2-oxazole
CID 155560417
Phenyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methanol
CID 24620995
(3-Thieno[2,3-d]pyrimidin-4-ylphenyl)methanol
CID 39826535
(2-Fluoro-5-thieno[2,3-d]pyrimidin-4-ylphenyl)methanol
CID 56711413
[5-Methyl-2-(3-pyridyl)-4-(3,4,5-trifluoroanilino)thieno[2,3-d]pyrimidin-6-yl]methanol
CID 129903510
(1R)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-1-pyridin-3-ylethanol
CID 164636686
2-(Tetrahydropyran-4-ylamino)-6-[(2-fluorophenyl)hydroxylmethyl]thieno[2,3-d]pyrimidine
CID 10172384
3-[4-Amino-6-[(2-fluoro-3-pyridinyl)-hydroxymethyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile
CID 45275071
5-Fluoro-2-(thieno[2,3-b]pyridin-2-ylmethoxy)pyrimidin-4-amine
CID 57818690
[4-Amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-fluoro-3-pyridinyl)methanol
CID 59278013

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)-(6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)methanol?
The IUPAC name of (3,3-difluorocyclobutyl)-(6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)methanol (CID 172542513) is (3,3-difluorocyclobutyl)-(6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)methanol.
What is the SMILES notation for (3,3-difluorocyclobutyl)-(6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)methanol?
The canonical SMILES for (3,3-difluorocyclobutyl)-(6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)methanol is OC(c1cc2ccc(-c3cncnc3)nc2s1)C1CC(F)(F)C1.
What is the InChIKey of (3,3-difluorocyclobutyl)-(6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)methanol?
The InChIKey is UVTQRVVLEAXLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3OS/c17-16(18)4-10(5-16)14(22)13-3-9-1-2-12(21-15(9)23-13)11-6-19-8-20-7-11/h1-3,6-8,10,14,22H,4-5H2.
What are the key properties of (3,3-difluorocyclobutyl)-(6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)methanol?
(3,3-difluorocyclobutyl)-(6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)methanol has a molecular weight of 333.36 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)-(6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)methanol is sourced from PubChem (CID 172542513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).