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

C22H22N4OS — CID 172542366

IUPAC(S)-cyclobutyl-[6-cyclopropyl-4-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol
SMILESCn1cc2cc(-c3cc(C4CC4)nc4sc([C@@H](O)C5CCC5)cc34)cnc2n1
InChIInChI=1S/C22H22N4OS/c1-26-11-15-7-14(10-23-21(15)25-26)16-8-18(12-5-6-12)24-22-17(16)9-19(28-22)20(27)13-3-2-4-13/h7-13,20,27H,2-6H2,1H3/t20-/m0/s1
InChIKeyRGNORTGTIJNHLT-FQEVSTJZSA-N
MW390.51 g/mol
LogP4.96
Rot. Bonds4

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

(S)-cyclobutyl-[6-cyclopropyl-4-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol (PubChem CID 172542366) has the molecular formula C22H22N4OS and a molecular weight of 390.51 g/mol. Its IUPAC name is (S)-cyclobutyl-[6-cyclopropyl-4-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol.

Molecular Properties

Compound Name(S)-cyclobutyl-[6-cyclopropyl-4-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol
PubChem CID172542366
Molecular FormulaC22H22N4OS
Molecular Weight390.51 g/mol
Exact Mass390.15
IUPAC Name(S)-cyclobutyl-[6-cyclopropyl-4-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol
SMILESCn1cc2cc(-c3cc(C4CC4)nc4sc([C@@H](O)C5CCC5)cc34)cnc2n1
InChIInChI=1S/C22H22N4OS/c1-26-11-15-7-14(10-23-21(15)25-26)16-8-18(12-5-6-12)24-22-17(16)9-19(28-22)20(27)13-3-2-4-13/h7-13,20,27H,2-6H2,1H3/t20-/m0/s1
InChIKeyRGNORTGTIJNHLT-FQEVSTJZSA-N
XLogP4.96
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
(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
(3,3-difluorocyclobutyl)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-1-benzothiophen-2-yl]methanol
CID 172542521
[4-cyclopropyl-2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone
CID 172583403
deuterio-(3,3-difluorocyclobutyl)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol
CID 172542412
(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
3-methyl-6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-2-(oxan-4-ylmethyl)thieno[2,3-b]pyridine
CID 172582482

Frequently Asked Questions

What is the IUPAC name of (S)-cyclobutyl-[6-cyclopropyl-4-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol?
The IUPAC name of (S)-cyclobutyl-[6-cyclopropyl-4-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol (CID 172542366) is (S)-cyclobutyl-[6-cyclopropyl-4-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol.
What is the SMILES notation for (S)-cyclobutyl-[6-cyclopropyl-4-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol?
The canonical SMILES for (S)-cyclobutyl-[6-cyclopropyl-4-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol is Cn1cc2cc(-c3cc(C4CC4)nc4sc([C@@H](O)C5CCC5)cc34)cnc2n1.
What is the InChIKey of (S)-cyclobutyl-[6-cyclopropyl-4-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol?
The InChIKey is RGNORTGTIJNHLT-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H22N4OS/c1-26-11-15-7-14(10-23-21(15)25-26)16-8-18(12-5-6-12)24-22-17(16)9-19(28-22)20(27)13-3-2-4-13/h7-13,20,27H,2-6H2,1H3/t20-/m0/s1.
What are the key properties of (S)-cyclobutyl-[6-cyclopropyl-4-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol?
(S)-cyclobutyl-[6-cyclopropyl-4-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol has a molecular weight of 390.51 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclobutyl-[6-cyclopropyl-4-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol is sourced from PubChem (CID 172542366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).