3-(difluoromethyl)-1-[5-methyl-2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]cyclobutan-1-ol

C19H17F2N5OS — CID 172542144

IUPAC3-(difluoromethyl)-1-[5-methyl-2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]cyclobutan-1-ol
SMILESCc1c(C2(O)CC(C(F)F)C2)sc2nc(-c3cnc4nn(C)cc4c3)ncc12
InChIInChI=1S/C19H17F2N5OS/c1-9-13-7-23-16(10-3-11-8-26(2)25-17(11)22-6-10)24-18(13)28-14(9)19(27)4-12(5-19)15(20)21/h3,6-8,12,15,27H,4-5H2,1-2H3
InChIKeyCFHCUBJGNNJKAD-UHFFFAOYSA-N
MW401.44 g/mol
LogP3.81
Rot. Bonds3

About 3-(difluoromethyl)-1-[5-methyl-2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]cyclobutan-1-ol

3-(difluoromethyl)-1-[5-methyl-2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]cyclobutan-1-ol (PubChem CID 172542144) has the molecular formula C19H17F2N5OS and a molecular weight of 401.44 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-[5-methyl-2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-(difluoromethyl)-1-[5-methyl-2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]cyclobutan-1-ol
PubChem CID172542144
Molecular FormulaC19H17F2N5OS
Molecular Weight401.44 g/mol
Exact Mass401.11
IUPAC Name3-(difluoromethyl)-1-[5-methyl-2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]cyclobutan-1-ol
SMILESCc1c(C2(O)CC(C(F)F)C2)sc2nc(-c3cnc4nn(C)cc4c3)ncc12
InChIInChI=1S/C19H17F2N5OS/c1-9-13-7-23-16(10-3-11-8-26(2)25-17(11)22-6-10)24-18(13)28-14(9)19(27)4-12(5-19)15(20)21/h3,6-8,12,15,27H,4-5H2,1-2H3
InChIKeyCFHCUBJGNNJKAD-UHFFFAOYSA-N
XLogP3.81
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(difluoromethyl)-1-[5-methyl-2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-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

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-[5-methyl-2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]cyclobutan-1-ol?
The IUPAC name of 3-(difluoromethyl)-1-[5-methyl-2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]cyclobutan-1-ol (CID 172542144) is 3-(difluoromethyl)-1-[5-methyl-2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-(difluoromethyl)-1-[5-methyl-2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]cyclobutan-1-ol?
The canonical SMILES for 3-(difluoromethyl)-1-[5-methyl-2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]cyclobutan-1-ol is Cc1c(C2(O)CC(C(F)F)C2)sc2nc(-c3cnc4nn(C)cc4c3)ncc12.
What is the InChIKey of 3-(difluoromethyl)-1-[5-methyl-2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]cyclobutan-1-ol?
The InChIKey is CFHCUBJGNNJKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5OS/c1-9-13-7-23-16(10-3-11-8-26(2)25-17(11)22-6-10)24-18(13)28-14(9)19(27)4-12(5-19)15(20)21/h3,6-8,12,15,27H,4-5H2,1-2H3.
What are the key properties of 3-(difluoromethyl)-1-[5-methyl-2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]cyclobutan-1-ol?
3-(difluoromethyl)-1-[5-methyl-2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]cyclobutan-1-ol has a molecular weight of 401.44 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-[5-methyl-2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]cyclobutan-1-ol is sourced from PubChem (CID 172542144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).