(R)-(3,3-difluorocyclobutyl)-[2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]methanol

C18H15F2N5OS — CID 172542372

IUPAC(R)-(3,3-difluorocyclobutyl)-[2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]methanol
SMILESCn1cc2cc(-c3ncc4cc([C@H](O)C5CC(F)(F)C5)sc4n3)cnc2n1
InChIInChI=1S/C18H15F2N5OS/c1-25-8-11-2-9(6-22-16(11)24-25)15-21-7-10-3-13(27-17(10)23-15)14(26)12-4-18(19,20)5-12/h2-3,6-8,12,14,26H,4-5H2,1H3/t14-/m1/s1
InChIKeyNLRHWYNXNMODBX-CQSZACIVSA-N
MW387.42 g/mol
LogP3.72
Rot. Bonds3

About (R)-(3,3-difluorocyclobutyl)-[2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]methanol

(R)-(3,3-difluorocyclobutyl)-[2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]methanol (PubChem CID 172542372) has the molecular formula C18H15F2N5OS and a molecular weight of 387.42 g/mol. Its IUPAC name is (R)-(3,3-difluorocyclobutyl)-[2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]methanol.

Molecular Properties

Compound Name(R)-(3,3-difluorocyclobutyl)-[2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]methanol
PubChem CID172542372
Molecular FormulaC18H15F2N5OS
Molecular Weight387.42 g/mol
Exact Mass387.10
IUPAC Name(R)-(3,3-difluorocyclobutyl)-[2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]methanol
SMILESCn1cc2cc(-c3ncc4cc([C@H](O)C5CC(F)(F)C5)sc4n3)cnc2n1
InChIInChI=1S/C18H15F2N5OS/c1-25-8-11-2-9(6-22-16(11)24-25)15-21-7-10-3-13(27-17(10)23-15)14(26)12-4-18(19,20)5-12/h2-3,6-8,12,14,26H,4-5H2,1H3/t14-/m1/s1
InChIKeyNLRHWYNXNMODBX-CQSZACIVSA-N
XLogP3.72
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (R)-(3,3-difluorocyclobutyl)-[2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]methanol 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
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
[5-[(E)-[[6-[(4-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]-4-methylthiophen-2-yl]methanol
CID 10150943
(2,6-difluorophenyl)-[4-[(2E)-2-[[3-(hydroxymethyl)thiophen-2-yl]methylidene]hydrazinyl]thieno[2,3-d]pyrimidin-6-yl]methanol
CID 10151248
[5-[(E)-[[6-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]-4-methylthiophen-2-yl]methanol
CID 10309885
[4-Amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-fluoro-3-pyridinyl)methanol
CID 59278013
[5-[[[6-[(2-Fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]-4-methylthiophen-2-yl]methanol
CID 70036000
[5-[[[6-[(4-Fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]-4-methylthiophen-2-yl]methanol
CID 70037562
(2,6-Difluorophenyl)-[4-[2-[[3-(hydroxymethyl)thiophen-2-yl]methylidene]hydrazinyl]thieno[2,3-d]pyrimidin-6-yl]methanol
CID 70038243
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

Frequently Asked Questions

What is the IUPAC name of (R)-(3,3-difluorocyclobutyl)-[2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]methanol?
The IUPAC name of (R)-(3,3-difluorocyclobutyl)-[2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]methanol (CID 172542372) is (R)-(3,3-difluorocyclobutyl)-[2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]methanol.
What is the SMILES notation for (R)-(3,3-difluorocyclobutyl)-[2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]methanol?
The canonical SMILES for (R)-(3,3-difluorocyclobutyl)-[2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]methanol is Cn1cc2cc(-c3ncc4cc([C@H](O)C5CC(F)(F)C5)sc4n3)cnc2n1.
What is the InChIKey of (R)-(3,3-difluorocyclobutyl)-[2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]methanol?
The InChIKey is NLRHWYNXNMODBX-CQSZACIVSA-N. The full InChI is InChI=1S/C18H15F2N5OS/c1-25-8-11-2-9(6-22-16(11)24-25)15-21-7-10-3-13(27-17(10)23-15)14(26)12-4-18(19,20)5-12/h2-3,6-8,12,14,26H,4-5H2,1H3/t14-/m1/s1.
What are the key properties of (R)-(3,3-difluorocyclobutyl)-[2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]methanol?
(R)-(3,3-difluorocyclobutyl)-[2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]methanol has a molecular weight of 387.42 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3,3-difluorocyclobutyl)-[2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]methanol is sourced from PubChem (CID 172542372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).