(3,3-difluorocyclobutyl)-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol

C19H16F2N4OS — CID 172542339

IUPAC(3,3-difluorocyclobutyl)-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol
SMILESCn1cc2cc(-c3cnc4sc(C(O)C5CC(F)(F)C5)cc4c3)cnc2n1
InChIInChI=1S/C19H16F2N4OS/c1-25-9-13-3-12(7-22-17(13)24-25)11-2-10-4-15(27-18(10)23-8-11)16(26)14-5-19(20,21)6-14/h2-4,7-9,14,16,26H,5-6H2,1H3
InChIKeyQIYAAWDZPVRENK-UHFFFAOYSA-N
MW386.43 g/mol
LogP4.32
Rot. Bonds3

About (3,3-difluorocyclobutyl)-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol

(3,3-difluorocyclobutyl)-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol (PubChem CID 172542339) has the molecular formula C19H16F2N4OS and a molecular weight of 386.43 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol
PubChem CID172542339
Molecular FormulaC19H16F2N4OS
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC Name(3,3-difluorocyclobutyl)-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol
SMILESCn1cc2cc(-c3cnc4sc(C(O)C5CC(F)(F)C5)cc4c3)cnc2n1
InChIInChI=1S/C19H16F2N4OS/c1-25-9-13-3-12(7-22-17(13)24-25)11-2-10-4-15(27-18(10)23-8-11)16(26)14-5-19(20,21)6-14/h2-4,7-9,14,16,26H,5-6H2,1H3
InChIKeyQIYAAWDZPVRENK-UHFFFAOYSA-N
XLogP4.32
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-[6-(2-Methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]spiro[2.3]hexan-5-ol
CID 172542222
3,3-Dimethyl-1-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol
CID 172542572
1-[5-[[[6-[(2-Fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]-4-methylthiophen-2-yl]propan-1-ol
CID 85329976
2,2,2-Trifluoro-1-[4-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]thieno[2,3-d]pyrimidin-6-yl]ethanol
CID 86297873
1-[5-[(Z)-[[6-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]-4-methylthiophen-2-yl]propan-1-ol
CID 88119482
2,2,2-Trifluoro-1-[4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidin-6-yl]ethanol
CID 90453099
[5-Ethyl-4-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]methanol
CID 144222668
1-[2-([1,2,4]Triazolo[4,3-a]pyrimidin-6-yl)thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethyl)cyclobutan-1-ol
CID 172542036
1-[2-(1-Methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethyl)cyclobutan-1-ol
CID 172542041
1-[5-(2-Methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol
CID 172542042
(R)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methanol
CID 172542045

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol?
The IUPAC name of (3,3-difluorocyclobutyl)-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol (CID 172542339) is (3,3-difluorocyclobutyl)-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol.
What is the SMILES notation for (3,3-difluorocyclobutyl)-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol?
The canonical SMILES for (3,3-difluorocyclobutyl)-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol is Cn1cc2cc(-c3cnc4sc(C(O)C5CC(F)(F)C5)cc4c3)cnc2n1.
What is the InChIKey of (3,3-difluorocyclobutyl)-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol?
The InChIKey is QIYAAWDZPVRENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4OS/c1-25-9-13-3-12(7-22-17(13)24-25)11-2-10-4-15(27-18(10)23-8-11)16(26)14-5-19(20,21)6-14/h2-4,7-9,14,16,26H,5-6H2,1H3.
What are the key properties of (3,3-difluorocyclobutyl)-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol?
(3,3-difluorocyclobutyl)-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol has a molecular weight of 386.43 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol is sourced from PubChem (CID 172542339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).