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

C20H20N4O2S — CID 172542099

IUPAC(S)-(3-methoxycyclobutyl)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol
SMILESCOC1CC([C@H](O)c2cc3ccc(-c4cnc5nn(C)cc5c4)nc3s2)C1
InChIInChI=1S/C20H20N4O2S/c1-24-10-14-5-13(9-21-19(14)23-24)16-4-3-11-8-17(27-20(11)22-16)18(25)12-6-15(7-12)26-2/h3-5,8-10,12,15,18,25H,6-7H2,1-2H3/t12?,15?,18-/m0/s1
InChIKeyXFERGJFZEDWVHK-WOOZHMMNSA-N
MW380.47 g/mol
LogP3.70
Rot. Bonds4

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

(S)-(3-methoxycyclobutyl)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol (PubChem CID 172542099) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is (S)-(3-methoxycyclobutyl)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol.

Molecular Properties

Compound Name(S)-(3-methoxycyclobutyl)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol
PubChem CID172542099
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name(S)-(3-methoxycyclobutyl)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol
SMILESCOC1CC([C@H](O)c2cc3ccc(-c4cnc5nn(C)cc5c4)nc3s2)C1
InChIInChI=1S/C20H20N4O2S/c1-24-10-14-5-13(9-21-19(14)23-24)16-4-3-11-8-17(27-20(11)22-16)18(25)12-6-15(7-12)26-2/h3-5,8-10,12,15,18,25H,6-7H2,1-2H3/t12?,15?,18-/m0/s1
InChIKeyXFERGJFZEDWVHK-WOOZHMMNSA-N
XLogP3.70
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(R)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-[3-(trifluoromethyl)cyclobutyl]methanol
CID 172542089
(R)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol
CID 172542038
(S)-(3,3-difluorocyclobutyl)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol
CID 172542122
(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
deuterio-(3,3-difluorocyclobutyl)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol
CID 172542412
2-(2-methoxycyclobutyl)-6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridine
CID 172582490
2-cyclobutyl-6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridine;methanol
CID 172582685
1-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-4-(trifluoromethyl)pent-4-en-1-ol
CID 172582417
(3,3-difluorocyclobutyl)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-1-benzothiophen-2-yl]methanol
CID 172542521
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
1,1,1-trifluoro-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]propan-2-ol
CID 172542139
[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 (S)-(3-methoxycyclobutyl)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol?
The IUPAC name of (S)-(3-methoxycyclobutyl)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol (CID 172542099) is (S)-(3-methoxycyclobutyl)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol.
What is the SMILES notation for (S)-(3-methoxycyclobutyl)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol?
The canonical SMILES for (S)-(3-methoxycyclobutyl)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol is COC1CC([C@H](O)c2cc3ccc(-c4cnc5nn(C)cc5c4)nc3s2)C1.
What is the InChIKey of (S)-(3-methoxycyclobutyl)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol?
The InChIKey is XFERGJFZEDWVHK-WOOZHMMNSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-24-10-14-5-13(9-21-19(14)23-24)16-4-3-11-8-17(27-20(11)22-16)18(25)12-6-15(7-12)26-2/h3-5,8-10,12,15,18,25H,6-7H2,1-2H3/t12?,15?,18-/m0/s1.
What are the key properties of (S)-(3-methoxycyclobutyl)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol?
(S)-(3-methoxycyclobutyl)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol has a molecular weight of 380.47 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-methoxycyclobutyl)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol is sourced from PubChem (CID 172542099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).