2-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-6-(1-methylpiperidin-4-yl)thieno[2,3-b]pyridine

C22H23FN4OS — CID 170747532

IUPAC2-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-6-(1-methylpiperidin-4-yl)thieno[2,3-b]pyridine
SMILESCOc1c(-c2cc3ccc(C4CCN(C)CC4)nc3s2)cc2cn(C)nc2c1F
InChIInChI=1S/C22H23FN4OS/c1-26-8-6-13(7-9-26)17-5-4-14-11-18(29-22(14)24-17)16-10-15-12-27(2)25-20(15)19(23)21(16)28-3/h4-5,10-13H,6-9H2,1-3H3
InChIKeyLUJKQLKQOLAGLR-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.81
Rot. Bonds3

About 2-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-6-(1-methylpiperidin-4-yl)thieno[2,3-b]pyridine

2-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-6-(1-methylpiperidin-4-yl)thieno[2,3-b]pyridine (PubChem CID 170747532) has the molecular formula C22H23FN4OS and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-6-(1-methylpiperidin-4-yl)thieno[2,3-b]pyridine.

Molecular Properties

Compound Name2-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-6-(1-methylpiperidin-4-yl)thieno[2,3-b]pyridine
PubChem CID170747532
Molecular FormulaC22H23FN4OS
Molecular Weight410.52 g/mol
Exact Mass410.16
IUPAC Name2-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-6-(1-methylpiperidin-4-yl)thieno[2,3-b]pyridine
SMILESCOc1c(-c2cc3ccc(C4CCN(C)CC4)nc3s2)cc2cn(C)nc2c1F
InChIInChI=1S/C22H23FN4OS/c1-26-8-6-13(7-9-26)17-5-4-14-11-18(29-22(14)24-17)16-10-15-12-27(2)25-20(15)19(23)21(16)28-3/h4-5,10-13H,6-9H2,1-3H3
InChIKeyLUJKQLKQOLAGLR-UHFFFAOYSA-N
XLogP4.81
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-6-(1-methylpiperidin-4-yl)thieno[2,3-b]pyridine with MolForge

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Related Compounds

US11787780, Example 233
CID 166917093
4-[2-[3-[4-(2-fluoro-6-methoxyphenyl)-5-(4H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine
CID 118258063
4-[4-(3,5-Dimethylpyridazin-4-yl)-3-fluorophenoxy]-[1,3]thiazolo[5,4-c]pyridine
CID 118467593
3-(3,5-Difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyridine
CID 156787748
2-(7-Fluoro-4-methoxy-2-methylindazol-5-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole
CID 162432870
2-(7-Fluoro-6-methoxy-2-methylindazol-5-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole
CID 162432885
Tert-butyl 4-[2-(7-fluoro-4-methoxy-2-methylindazol-5-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidine-1-carboxylate
CID 162433062
5-(7-Fluoro-4-methoxy-2-methylindazol-5-yl)-2-piperidin-4-ylthieno[2,3-c]pyrazole
CID 162433109
5-(7-Fluoro-6-methoxy-2-methylindazol-5-yl)-2-piperidin-4-ylthieno[2,3-c]pyrazole
CID 162433217
Tert-butyl 4-[2-(7-fluoro-6-methoxy-2-methylindazol-5-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidine-1-carboxylate
CID 166922665
7-Fluoro-2-(6-methoxy-2-methylindazol-5-yl)quinoline
CID 168072081
4-[3-[1-(4-Fluorophenyl)-6-methoxyindazol-5-yl]-4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole
CID 168812824

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-6-(1-methylpiperidin-4-yl)thieno[2,3-b]pyridine?
The IUPAC name of 2-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-6-(1-methylpiperidin-4-yl)thieno[2,3-b]pyridine (CID 170747532) is 2-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-6-(1-methylpiperidin-4-yl)thieno[2,3-b]pyridine.
What is the SMILES notation for 2-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-6-(1-methylpiperidin-4-yl)thieno[2,3-b]pyridine?
The canonical SMILES for 2-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-6-(1-methylpiperidin-4-yl)thieno[2,3-b]pyridine is COc1c(-c2cc3ccc(C4CCN(C)CC4)nc3s2)cc2cn(C)nc2c1F.
What is the InChIKey of 2-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-6-(1-methylpiperidin-4-yl)thieno[2,3-b]pyridine?
The InChIKey is LUJKQLKQOLAGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4OS/c1-26-8-6-13(7-9-26)17-5-4-14-11-18(29-22(14)24-17)16-10-15-12-27(2)25-20(15)19(23)21(16)28-3/h4-5,10-13H,6-9H2,1-3H3.
What are the key properties of 2-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-6-(1-methylpiperidin-4-yl)thieno[2,3-b]pyridine?
2-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-6-(1-methylpiperidin-4-yl)thieno[2,3-b]pyridine has a molecular weight of 410.52 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-6-(1-methylpiperidin-4-yl)thieno[2,3-b]pyridine is sourced from PubChem (CID 170747532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).