2,2-difluoro-5-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]spiro[2.3]hexan-5-ol

C19H15F2N5OS — CID 172542090

IUPAC2,2-difluoro-5-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]spiro[2.3]hexan-5-ol
SMILESCn1cc2cc(-c3ccc4nc(C5(O)CC6(C5)CC6(F)F)sc4n3)cnc2n1
InChIInChI=1S/C19H15F2N5OS/c1-26-6-11-4-10(5-22-14(11)25-26)12-2-3-13-15(23-12)28-16(24-13)18(27)7-17(8-18)9-19(17,20)21/h2-6,27H,7-9H2,1H3
InChIKeyVUZJTGQJIINFCM-UHFFFAOYSA-N
MW399.43 g/mol
LogP3.65
Rot. Bonds2

About 2,2-difluoro-5-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]spiro[2.3]hexan-5-ol

2,2-difluoro-5-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]spiro[2.3]hexan-5-ol (PubChem CID 172542090) has the molecular formula C19H15F2N5OS and a molecular weight of 399.43 g/mol. Its IUPAC name is 2,2-difluoro-5-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]spiro[2.3]hexan-5-ol.

Molecular Properties

Compound Name2,2-difluoro-5-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]spiro[2.3]hexan-5-ol
PubChem CID172542090
Molecular FormulaC19H15F2N5OS
Molecular Weight399.43 g/mol
Exact Mass399.10
IUPAC Name2,2-difluoro-5-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]spiro[2.3]hexan-5-ol
SMILESCn1cc2cc(-c3ccc4nc(C5(O)CC6(C5)CC6(F)F)sc4n3)cnc2n1
InChIInChI=1S/C19H15F2N5OS/c1-26-6-11-4-10(5-22-14(11)25-26)12-2-3-13-15(23-12)28-16(24-13)18(27)7-17(8-18)9-19(17,20)21/h2-6,27H,7-9H2,1H3
InChIKeyVUZJTGQJIINFCM-UHFFFAOYSA-N
XLogP3.65
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,2-difluoro-5-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]spiro[2.3]hexan-5-ol with MolForge

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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
(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
9-(Difluoromethyl)-2-(methoxymethyl)-7-phenylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
CID 19589719
7-(1,5-Dimethyl-1H-pyrazol-4-YL)-2-(1-ethyl-1H-pyrazol-5-YL)-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-E][1,2,4]triazolo[1,5-C]pyrimidine
CID 19617045
1-[5-(3-Methyltriazolo[4,5-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(trifluoromethoxy)cyclobutan-1-ol
CID 172542033
1-[5-(2-Methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol
CID 172542042
3-(Difluoromethyl)-1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclobutan-1-ol
CID 172542054
3,3-difluoro-1-[6-(2H-triazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol
CID 172542056
2,2-Difluoro-6-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]spiro[3.3]heptan-6-ol
CID 172542072
3-(Difluoromethyl)-1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]cyclobutan-1-ol
CID 172542073

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]spiro[2.3]hexan-5-ol?
The IUPAC name of 2,2-difluoro-5-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]spiro[2.3]hexan-5-ol (CID 172542090) is 2,2-difluoro-5-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]spiro[2.3]hexan-5-ol.
What is the SMILES notation for 2,2-difluoro-5-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]spiro[2.3]hexan-5-ol?
The canonical SMILES for 2,2-difluoro-5-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]spiro[2.3]hexan-5-ol is Cn1cc2cc(-c3ccc4nc(C5(O)CC6(C5)CC6(F)F)sc4n3)cnc2n1.
What is the InChIKey of 2,2-difluoro-5-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]spiro[2.3]hexan-5-ol?
The InChIKey is VUZJTGQJIINFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5OS/c1-26-6-11-4-10(5-22-14(11)25-26)12-2-3-13-15(23-12)28-16(24-13)18(27)7-17(8-18)9-19(17,20)21/h2-6,27H,7-9H2,1H3.
What are the key properties of 2,2-difluoro-5-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]spiro[2.3]hexan-5-ol?
2,2-difluoro-5-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]spiro[2.3]hexan-5-ol has a molecular weight of 399.43 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]spiro[2.3]hexan-5-ol is sourced from PubChem (CID 172542090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).