1-(4-methoxyphenyl)-3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazole

C20H21N3OS — CID 56677000

IUPAC1-(4-methoxyphenyl)-3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazole
SMILESCOc1ccc(-n2nc(SC)c3ccc(C4=CCNCC4)cc32)cc1
InChIInChI=1S/C20H21N3OS/c1-24-17-6-4-16(5-7-17)23-19-13-15(14-9-11-21-12-10-14)3-8-18(19)20(22-23)25-2/h3-9,13,21H,10-12H2,1-2H3
InChIKeyQUVKTRFGMBUQQH-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.13
Rot. Bonds4

About 1-(4-methoxyphenyl)-3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazole

1-(4-methoxyphenyl)-3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazole (PubChem CID 56677000) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazole
PubChem CID56677000
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name1-(4-methoxyphenyl)-3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazole
SMILESCOc1ccc(-n2nc(SC)c3ccc(C4=CCNCC4)cc32)cc1
InChIInChI=1S/C20H21N3OS/c1-24-17-6-4-16(5-7-17)23-19-13-15(14-9-11-21-12-10-14)3-8-18(19)20(22-23)25-2/h3-9,13,21H,10-12H2,1-2H3
InChIKeyQUVKTRFGMBUQQH-UHFFFAOYSA-N
XLogP4.13
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazole?
The IUPAC name of 1-(4-methoxyphenyl)-3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazole (CID 56677000) is 1-(4-methoxyphenyl)-3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazole.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazole?
The canonical SMILES for 1-(4-methoxyphenyl)-3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazole is COc1ccc(-n2nc(SC)c3ccc(C4=CCNCC4)cc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazole?
The InChIKey is QUVKTRFGMBUQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-24-17-6-4-16(5-7-17)23-19-13-15(14-9-11-21-12-10-14)3-8-18(19)20(22-23)25-2/h3-9,13,21H,10-12H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazole?
1-(4-methoxyphenyl)-3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazole has a molecular weight of 351.48 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazole is sourced from PubChem (CID 56677000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).