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

C17H14F2N6OS — CID 172542098

IUPAC3-(difluoromethyl)-1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]cyclobutan-1-ol
SMILESCn1cc2cc(-c3ncc4nc(C5(O)CC(C(F)F)C5)sc4n3)cnc2n1
InChIInChI=1S/C17H14F2N6OS/c1-25-7-9-2-8(5-20-14(9)24-25)13-21-6-11-15(23-13)27-16(22-11)17(26)3-10(4-17)12(18)19/h2,5-7,10,12,26H,3-4H2,1H3
InChIKeyNBQMCLKICAHNDV-UHFFFAOYSA-N
MW388.40 g/mol
LogP2.90
Rot. Bonds3

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

3-(difluoromethyl)-1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]cyclobutan-1-ol (PubChem CID 172542098) has the molecular formula C17H14F2N6OS and a molecular weight of 388.40 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-(difluoromethyl)-1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]cyclobutan-1-ol
PubChem CID172542098
Molecular FormulaC17H14F2N6OS
Molecular Weight388.40 g/mol
Exact Mass388.09
IUPAC Name3-(difluoromethyl)-1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]cyclobutan-1-ol
SMILESCn1cc2cc(-c3ncc4nc(C5(O)CC(C(F)F)C5)sc4n3)cnc2n1
InChIInChI=1S/C17H14F2N6OS/c1-25-7-9-2-8(5-20-14(9)24-25)13-21-6-11-15(23-13)27-16(22-11)17(26)3-10(4-17)12(18)19/h2,5-7,10,12,26H,3-4H2,1H3
InChIKeyNBQMCLKICAHNDV-UHFFFAOYSA-N
XLogP2.90
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(difluoromethyl)-1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]cyclobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
4-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5-methyl-7-thia-3,5,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene
CID 57414239
2-{[5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]methyl}-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
CID 17026290
2-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
CID 19589170
2-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-7-methyl-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
CID 19589804
9-(difluoromethyl)-2-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
CID 19589808
2-{[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]methyl}-7-methyl-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
CID 19589826
9-(difluoromethyl)-2-{1-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]ethyl}-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
CID 19589840
9-(difluoromethyl)-7-methyl-2-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
CID 19589920
2-{[5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]methyl}-7-methyl-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
CID 19589921
9-(difluoromethyl)-7-methyl-2-{1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
CID 19589948
9-(difluoromethyl)-7-methyl-2-[(5-phenyl-2H-tetrazol-2-yl)methyl]pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
CID 19590011

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]cyclobutan-1-ol?
The IUPAC name of 3-(difluoromethyl)-1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]cyclobutan-1-ol (CID 172542098) is 3-(difluoromethyl)-1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-(difluoromethyl)-1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]cyclobutan-1-ol?
The canonical SMILES for 3-(difluoromethyl)-1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]cyclobutan-1-ol is Cn1cc2cc(-c3ncc4nc(C5(O)CC(C(F)F)C5)sc4n3)cnc2n1.
What is the InChIKey of 3-(difluoromethyl)-1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]cyclobutan-1-ol?
The InChIKey is NBQMCLKICAHNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N6OS/c1-25-7-9-2-8(5-20-14(9)24-25)13-21-6-11-15(23-13)27-16(22-11)17(26)3-10(4-17)12(18)19/h2,5-7,10,12,26H,3-4H2,1H3.
What are the key properties of 3-(difluoromethyl)-1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]cyclobutan-1-ol?
3-(difluoromethyl)-1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]cyclobutan-1-ol has a molecular weight of 388.40 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]cyclobutan-1-ol is sourced from PubChem (CID 172542098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).