(R)-(3,3-difluorocyclobutyl)-[6-(1H-pyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol

C18H14F2N4OS — CID 172542593

IUPAC(R)-(3,3-difluorocyclobutyl)-[6-(1H-pyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol
SMILESO[C@@H](c1cc2ccc(-c3cnc4[nH]ncc4c3)nc2s1)C1CC(F)(F)C1
InChIInChI=1S/C18H14F2N4OS/c19-18(20)5-12(6-18)15(25)14-4-9-1-2-13(23-17(9)26-14)10-3-11-8-22-24-16(11)21-7-10/h1-4,7-8,12,15,25H,5-6H2,(H,21,22,24)/t15-/m1/s1
InChIKeyVIZVQKCCQWUWKM-OAHLLOKOSA-N
MW372.40 g/mol
LogP4.31
Rot. Bonds3

About (R)-(3,3-difluorocyclobutyl)-[6-(1H-pyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol

(R)-(3,3-difluorocyclobutyl)-[6-(1H-pyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol (PubChem CID 172542593) has the molecular formula C18H14F2N4OS and a molecular weight of 372.40 g/mol. Its IUPAC name is (R)-(3,3-difluorocyclobutyl)-[6-(1H-pyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol.

Molecular Properties

Compound Name(R)-(3,3-difluorocyclobutyl)-[6-(1H-pyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol
PubChem CID172542593
Molecular FormulaC18H14F2N4OS
Molecular Weight372.40 g/mol
Exact Mass372.09
IUPAC Name(R)-(3,3-difluorocyclobutyl)-[6-(1H-pyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol
SMILESO[C@@H](c1cc2ccc(-c3cnc4[nH]ncc4c3)nc2s1)C1CC(F)(F)C1
InChIInChI=1S/C18H14F2N4OS/c19-18(20)5-12(6-18)15(25)14-4-9-1-2-13(23-17(9)26-14)10-3-11-8-22-24-16(11)21-7-10/h1-4,7-8,12,15,25H,5-6H2,(H,21,22,24)/t15-/m1/s1
InChIKeyVIZVQKCCQWUWKM-OAHLLOKOSA-N
XLogP4.31
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (R)-(3,3-difluorocyclobutyl)-[6-(1H-pyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol with MolForge

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Related Compounds

(S)-(3,3-difluorocyclobutyl)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol
CID 172542122
(S)-(3,3-difluorocyclobutyl)-[6-(2-propan-2-ylindazol-5-yl)thieno[2,3-b]pyridin-2-yl]methanol
CID 172542461
deuterio-(3,3-difluorocyclobutyl)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol
CID 172542412
(3,3-difluorocyclobutyl)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-1-benzothiophen-2-yl]methanol
CID 172542521
(R)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-[3-(trifluoromethyl)cyclobutyl]methanol
CID 172542089
(R)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol
CID 172542038
(S)-(3-methoxycyclobutyl)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol
CID 172542099
(S)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-[(3R)-1-methylpyrrolidin-3-yl]methanol
CID 172542044
[6-(1,2-benzoxazol-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol
CID 172542171
(S)-(3-amino-6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)-(3,3-difluorocyclobutyl)methanol
CID 172542490
(3,3-difluorocyclobutyl)-[2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)quinolin-6-yl]methanol
CID 172542168
[6-(3-methyl-2H-indazol-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol
CID 172542050

Frequently Asked Questions

What is the IUPAC name of (R)-(3,3-difluorocyclobutyl)-[6-(1H-pyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol?
The IUPAC name of (R)-(3,3-difluorocyclobutyl)-[6-(1H-pyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol (CID 172542593) is (R)-(3,3-difluorocyclobutyl)-[6-(1H-pyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol.
What is the SMILES notation for (R)-(3,3-difluorocyclobutyl)-[6-(1H-pyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol?
The canonical SMILES for (R)-(3,3-difluorocyclobutyl)-[6-(1H-pyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol is O[C@@H](c1cc2ccc(-c3cnc4[nH]ncc4c3)nc2s1)C1CC(F)(F)C1.
What is the InChIKey of (R)-(3,3-difluorocyclobutyl)-[6-(1H-pyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol?
The InChIKey is VIZVQKCCQWUWKM-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H14F2N4OS/c19-18(20)5-12(6-18)15(25)14-4-9-1-2-13(23-17(9)26-14)10-3-11-8-22-24-16(11)21-7-10/h1-4,7-8,12,15,25H,5-6H2,(H,21,22,24)/t15-/m1/s1.
What are the key properties of (R)-(3,3-difluorocyclobutyl)-[6-(1H-pyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol?
(R)-(3,3-difluorocyclobutyl)-[6-(1H-pyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol has a molecular weight of 372.40 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3,3-difluorocyclobutyl)-[6-(1H-pyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol is sourced from PubChem (CID 172542593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).