6-chloro-1-(4-fluorophenyl)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indazole

C19H17ClFN3O2S — CID 166916284

IUPAC6-chloro-1-(4-fluorophenyl)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indazole
SMILESCS(=O)(=O)N1CC=C(c2cc3cnn(-c4ccc(F)cc4)c3cc2Cl)CC1
InChIInChI=1S/C19H17ClFN3O2S/c1-27(25,26)23-8-6-13(7-9-23)17-10-14-12-22-24(19(14)11-18(17)20)16-4-2-15(21)3-5-16/h2-6,10-12H,7-9H2,1H3
InChIKeySGLDVKYENILBDY-UHFFFAOYSA-N
MW405.88 g/mol
LogP3.87
Rot. Bonds3

About 6-chloro-1-(4-fluorophenyl)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indazole

6-chloro-1-(4-fluorophenyl)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indazole (PubChem CID 166916284) has the molecular formula C19H17ClFN3O2S and a molecular weight of 405.88 g/mol. Its IUPAC name is 6-chloro-1-(4-fluorophenyl)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indazole.

Molecular Properties

Compound Name6-chloro-1-(4-fluorophenyl)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indazole
PubChem CID166916284
Molecular FormulaC19H17ClFN3O2S
Molecular Weight405.88 g/mol
Exact Mass405.07
IUPAC Name6-chloro-1-(4-fluorophenyl)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indazole
SMILESCS(=O)(=O)N1CC=C(c2cc3cnn(-c4ccc(F)cc4)c3cc2Cl)CC1
InChIInChI=1S/C19H17ClFN3O2S/c1-27(25,26)23-8-6-13(7-9-23)17-10-14-12-22-24(19(14)11-18(17)20)16-4-2-15(21)3-5-16/h2-6,10-12H,7-9H2,1H3
InChIKeySGLDVKYENILBDY-UHFFFAOYSA-N
XLogP3.87
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.88
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(4-fluorophenyl)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indazole?
The IUPAC name of 6-chloro-1-(4-fluorophenyl)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indazole (CID 166916284) is 6-chloro-1-(4-fluorophenyl)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indazole.
What is the SMILES notation for 6-chloro-1-(4-fluorophenyl)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indazole?
The canonical SMILES for 6-chloro-1-(4-fluorophenyl)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indazole is CS(=O)(=O)N1CC=C(c2cc3cnn(-c4ccc(F)cc4)c3cc2Cl)CC1.
What is the InChIKey of 6-chloro-1-(4-fluorophenyl)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indazole?
The InChIKey is SGLDVKYENILBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O2S/c1-27(25,26)23-8-6-13(7-9-23)17-10-14-12-22-24(19(14)11-18(17)20)16-4-2-15(21)3-5-16/h2-6,10-12H,7-9H2,1H3.
What are the key properties of 6-chloro-1-(4-fluorophenyl)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indazole?
6-chloro-1-(4-fluorophenyl)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indazole has a molecular weight of 405.88 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(4-fluorophenyl)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indazole is sourced from PubChem (CID 166916284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).