3-(difluoromethyl)-1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]cyclobutan-1-ol

C19H16F2N4OS — CID 172542073

IUPAC3-(difluoromethyl)-1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]cyclobutan-1-ol
SMILESCn1cc2cc(-c3ccc4sc(C5(O)CC(C(F)F)C5)cc4n3)cnc2n1
InChIInChI=1S/C19H16F2N4OS/c1-25-9-11-4-10(8-22-18(11)24-25)13-2-3-15-14(23-13)5-16(27-15)19(26)6-12(7-19)17(20)21/h2-5,8-9,12,17,26H,6-7H2,1H3
InChIKeyXLDFCBZADOBYES-UHFFFAOYSA-N
MW386.43 g/mol
LogP4.11
Rot. Bonds3

About 3-(difluoromethyl)-1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]cyclobutan-1-ol

3-(difluoromethyl)-1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]cyclobutan-1-ol (PubChem CID 172542073) has the molecular formula C19H16F2N4OS and a molecular weight of 386.43 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-(difluoromethyl)-1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]cyclobutan-1-ol
PubChem CID172542073
Molecular FormulaC19H16F2N4OS
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC Name3-(difluoromethyl)-1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]cyclobutan-1-ol
SMILESCn1cc2cc(-c3ccc4sc(C5(O)CC(C(F)F)C5)cc4n3)cnc2n1
InChIInChI=1S/C19H16F2N4OS/c1-25-9-11-4-10(8-22-18(11)24-25)13-2-3-15-14(23-13)5-16(27-15)19(26)6-12(7-19)17(20)21/h2-5,8-9,12,17,26H,6-7H2,1H3
InChIKeyXLDFCBZADOBYES-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-1-(4-fluorophenyl)-1-[2-[4-[6-(2-methyl-1,3-thiazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 118032923
(1R)-1-(4-fluorophenyl)-1-[2-[4-[6-(5-methylthiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 118032915
(1S)-1-(4-fluorophenyl)-1-[2-[4-[6-(5-methylthiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 118032919
(1R)-1-(4-fluorophenyl)-1-[2-[4-[6-(2-methyl-1,3-thiazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 118032922
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
(R)-(3,3-difluorocyclobutyl)-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methanol
CID 172542545
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
(3R)-1-[4-[6-[6-(3-hydroxy-3-methylbutyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]-4-methyl-3-(trifluoromethyl)pentan-1-one
CID 59603836
2-[3-[5-[5-(Trifluoromethyl)-2-[3-(trifluoromethyl)pyridin-2-yl]pyrazol-3-yl]thiophen-2-yl]phenyl]propan-2-ol
CID 59632977
2-[4-[5-[5-(Trifluoromethyl)-2-[3-(trifluoromethyl)pyridin-2-yl]pyrazol-3-yl]thiophen-2-yl]phenyl]propan-2-ol
CID 59633003
1-(4-Fluorophenyl)-1-[2-[4-[6-(2-methyl-1,3-thiazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 123146888

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]cyclobutan-1-ol?
The IUPAC name of 3-(difluoromethyl)-1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]cyclobutan-1-ol (CID 172542073) is 3-(difluoromethyl)-1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-(difluoromethyl)-1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]cyclobutan-1-ol?
The canonical SMILES for 3-(difluoromethyl)-1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]cyclobutan-1-ol is Cn1cc2cc(-c3ccc4sc(C5(O)CC(C(F)F)C5)cc4n3)cnc2n1.
What is the InChIKey of 3-(difluoromethyl)-1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]cyclobutan-1-ol?
The InChIKey is XLDFCBZADOBYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4OS/c1-25-9-11-4-10(8-22-18(11)24-25)13-2-3-15-14(23-13)5-16(27-15)19(26)6-12(7-19)17(20)21/h2-5,8-9,12,17,26H,6-7H2,1H3.
What are the key properties of 3-(difluoromethyl)-1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]cyclobutan-1-ol?
3-(difluoromethyl)-1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]cyclobutan-1-ol has a molecular weight of 386.43 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]cyclobutan-1-ol is sourced from PubChem (CID 172542073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).