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

C19H18FN3S — CID 56666738

IUPAC1-(3-fluorophenyl)-3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazole
SMILESCSc1nn(-c2cccc(F)c2)c2cc(C3=CCNCC3)ccc12
InChIInChI=1S/C19H18FN3S/c1-24-19-17-6-5-14(13-7-9-21-10-8-13)11-18(17)23(22-19)16-4-2-3-15(20)12-16/h2-7,11-12,21H,8-10H2,1H3
InChIKeyBHFXIDWQKHRXDC-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.26
Rot. Bonds3

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

1-(3-fluorophenyl)-3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazole (PubChem CID 56666738) has the molecular formula C19H18FN3S and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazole.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazole
PubChem CID56666738
Molecular FormulaC19H18FN3S
Molecular Weight339.44 g/mol
Exact Mass339.12
IUPAC Name1-(3-fluorophenyl)-3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazole
SMILESCSc1nn(-c2cccc(F)c2)c2cc(C3=CCNCC3)ccc12
InChIInChI=1S/C19H18FN3S/c1-24-19-17-6-5-14(13-7-9-21-10-8-13)11-18(17)23(22-19)16-4-2-3-15(20)12-16/h2-7,11-12,21H,8-10H2,1H3
InChIKeyBHFXIDWQKHRXDC-UHFFFAOYSA-N
XLogP4.26
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methylsulfanyl-1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole
CID 53494134
3-Methylsulfanyl-6-(1,2,3,6-tetrahydro-pyridin-4-yl)-1-m-tolyl-1H-indazole
CID 53494135
3-Methylsulfanyl-1-phenyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazole
CID 56659792
1-(4-Fluorophenyl)-3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazole
CID 56659841
4-[3-Methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazol-1-yl]aniline
CID 56659842
3-Methylsulfanyl-6-(1,2,3,6-tetrahydro-pyridin-4-yl)-1-p-tolyl-1H-indazole
CID 56670164
3-Methylsulfanyl-1-phenyl-6-piperazin-1-ylindazole
CID 56680271
3-Methylsulfanyl-1-(4-nitrophenyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)indazole
CID 56680332
Dazidamine
CID 205962
3-Methylsulfanyl-1-phenyl-6-piperidin-4-ylindazole
CID 56680270
3-Methylsulfanyl-1-phenyl-6-(3-piperazin-1-ylpyrrolidin-1-yl)indazole
CID 58483572
6-(1,4-Diazepan-1-yl)-3-methylsulfanyl-1-phenylindazole
CID 58483573

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazole?
The IUPAC name of 1-(3-fluorophenyl)-3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazole (CID 56666738) is 1-(3-fluorophenyl)-3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazole.
What is the SMILES notation for 1-(3-fluorophenyl)-3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazole?
The canonical SMILES for 1-(3-fluorophenyl)-3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazole is CSc1nn(-c2cccc(F)c2)c2cc(C3=CCNCC3)ccc12.
What is the InChIKey of 1-(3-fluorophenyl)-3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazole?
The InChIKey is BHFXIDWQKHRXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3S/c1-24-19-17-6-5-14(13-7-9-21-10-8-13)11-18(17)23(22-19)16-4-2-3-15(20)12-16/h2-7,11-12,21H,8-10H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazole?
1-(3-fluorophenyl)-3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazole has a molecular weight of 339.44 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazole is sourced from PubChem (CID 56666738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).