cyclobutyl-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-4-(2-methylpyrazol-3-yl)thieno[2,3-b]pyridin-2-yl]methanol

C23H22N6OS — CID 172542124

IUPACcyclobutyl-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-4-(2-methylpyrazol-3-yl)thieno[2,3-b]pyridin-2-yl]methanol
SMILESCn1cc2cc(-c3cc(-c4ccnn4C)c4cc(C(O)C5CCC5)sc4n3)cnc2n1
InChIInChI=1S/C23H22N6OS/c1-28-12-15-8-14(11-24-22(15)27-28)18-9-16(19-6-7-25-29(19)2)17-10-20(31-23(17)26-18)21(30)13-4-3-5-13/h6-13,21,30H,3-5H2,1-2H3
InChIKeyQPBARHQBAWGEHD-UHFFFAOYSA-N
MW430.54 g/mol
LogP4.48
Rot. Bonds4

About cyclobutyl-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-4-(2-methylpyrazol-3-yl)thieno[2,3-b]pyridin-2-yl]methanol

cyclobutyl-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-4-(2-methylpyrazol-3-yl)thieno[2,3-b]pyridin-2-yl]methanol (PubChem CID 172542124) has the molecular formula C23H22N6OS and a molecular weight of 430.54 g/mol. Its IUPAC name is cyclobutyl-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-4-(2-methylpyrazol-3-yl)thieno[2,3-b]pyridin-2-yl]methanol.

Molecular Properties

Compound Namecyclobutyl-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-4-(2-methylpyrazol-3-yl)thieno[2,3-b]pyridin-2-yl]methanol
PubChem CID172542124
Molecular FormulaC23H22N6OS
Molecular Weight430.54 g/mol
Exact Mass430.16
IUPAC Namecyclobutyl-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-4-(2-methylpyrazol-3-yl)thieno[2,3-b]pyridin-2-yl]methanol
SMILESCn1cc2cc(-c3cc(-c4ccnn4C)c4cc(C(O)C5CCC5)sc4n3)cnc2n1
InChIInChI=1S/C23H22N6OS/c1-28-12-15-8-14(11-24-22(15)27-28)18-9-16(19-6-7-25-29(19)2)17-10-20(31-23(17)26-18)21(30)13-4-3-5-13/h6-13,21,30H,3-5H2,1-2H3
InChIKeyQPBARHQBAWGEHD-UHFFFAOYSA-N
XLogP4.48
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.54
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze cyclobutyl-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-4-(2-methylpyrazol-3-yl)thieno[2,3-b]pyridin-2-yl]methanol with MolForge

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Related Compounds

(S)-cyclobutyl-[6-cyclopropyl-4-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol
CID 172542366
(1R)-1-cyclobutyl-2,2,2-trifluoro-1-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-4-(2-methylpyrazol-3-yl)thieno[2,3-b]pyridin-2-yl]ethanol
CID 172542375
(R)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol
CID 172542038
(S)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-[(3R)-1-methylpyrrolidin-3-yl]methanol
CID 172542044
(S)-(3-methoxycyclobutyl)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol
CID 172542099
(S)-(3,3-difluorocyclobutyl)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol
CID 172542122
(R)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-[3-(trifluoromethyl)cyclobutyl]methanol
CID 172542089
2-cyclobutyl-6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridine;methanol
CID 172582685
deuterio-(3,3-difluorocyclobutyl)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol
CID 172542412
(3,3-difluorocyclobutyl)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-1-benzothiophen-2-yl]methanol
CID 172542521
3-methyl-6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-2-(oxan-4-ylmethyl)thieno[2,3-b]pyridine
CID 172582482
[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanediol
CID 172582722

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-4-(2-methylpyrazol-3-yl)thieno[2,3-b]pyridin-2-yl]methanol?
The IUPAC name of cyclobutyl-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-4-(2-methylpyrazol-3-yl)thieno[2,3-b]pyridin-2-yl]methanol (CID 172542124) is cyclobutyl-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-4-(2-methylpyrazol-3-yl)thieno[2,3-b]pyridin-2-yl]methanol.
What is the SMILES notation for cyclobutyl-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-4-(2-methylpyrazol-3-yl)thieno[2,3-b]pyridin-2-yl]methanol?
The canonical SMILES for cyclobutyl-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-4-(2-methylpyrazol-3-yl)thieno[2,3-b]pyridin-2-yl]methanol is Cn1cc2cc(-c3cc(-c4ccnn4C)c4cc(C(O)C5CCC5)sc4n3)cnc2n1.
What is the InChIKey of cyclobutyl-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-4-(2-methylpyrazol-3-yl)thieno[2,3-b]pyridin-2-yl]methanol?
The InChIKey is QPBARHQBAWGEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6OS/c1-28-12-15-8-14(11-24-22(15)27-28)18-9-16(19-6-7-25-29(19)2)17-10-20(31-23(17)26-18)21(30)13-4-3-5-13/h6-13,21,30H,3-5H2,1-2H3.
What are the key properties of cyclobutyl-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-4-(2-methylpyrazol-3-yl)thieno[2,3-b]pyridin-2-yl]methanol?
cyclobutyl-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-4-(2-methylpyrazol-3-yl)thieno[2,3-b]pyridin-2-yl]methanol has a molecular weight of 430.54 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-4-(2-methylpyrazol-3-yl)thieno[2,3-b]pyridin-2-yl]methanol is sourced from PubChem (CID 172542124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).