6-chloro-1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole

C24H23ClFN5O2S — CID 166916309

IUPAC6-chloro-1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole
SMILESCCCn1cc(S(=O)(=O)N2CC=C(c3cc4cnn(-c5ccc(F)cc5)c4cc3Cl)CC2)cn1
InChIInChI=1S/C24H23ClFN5O2S/c1-2-9-29-16-21(15-27-29)34(32,33)30-10-7-17(8-11-30)22-12-18-14-28-31(24(18)13-23(22)25)20-5-3-19(26)4-6-20/h3-7,12-16H,2,8-11H2,1H3
InChIKeyHPRSOPJPSJSZAJ-UHFFFAOYSA-N
MW500.00 g/mol
LogP4.90
Rot. Bonds6

About 6-chloro-1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole

6-chloro-1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole (PubChem CID 166916309) has the molecular formula C24H23ClFN5O2S and a molecular weight of 500.00 g/mol. Its IUPAC name is 6-chloro-1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole.

Molecular Properties

Compound Name6-chloro-1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole
PubChem CID166916309
Molecular FormulaC24H23ClFN5O2S
Molecular Weight500.00 g/mol
Exact Mass499.12
IUPAC Name6-chloro-1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole
SMILESCCCn1cc(S(=O)(=O)N2CC=C(c3cc4cnn(-c5ccc(F)cc5)c4cc3Cl)CC2)cn1
InChIInChI=1S/C24H23ClFN5O2S/c1-2-9-29-16-21(15-27-29)34(32,33)30-10-7-17(8-11-30)22-12-18-14-28-31(24(18)13-23(22)25)20-5-3-19(26)4-6-20/h3-7,12-16H,2,8-11H2,1H3
InChIKeyHPRSOPJPSJSZAJ-UHFFFAOYSA-N
XLogP4.90
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500500.00
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole?
The IUPAC name of 6-chloro-1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole (CID 166916309) is 6-chloro-1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole.
What is the SMILES notation for 6-chloro-1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole?
The canonical SMILES for 6-chloro-1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole is CCCn1cc(S(=O)(=O)N2CC=C(c3cc4cnn(-c5ccc(F)cc5)c4cc3Cl)CC2)cn1.
What is the InChIKey of 6-chloro-1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole?
The InChIKey is HPRSOPJPSJSZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN5O2S/c1-2-9-29-16-21(15-27-29)34(32,33)30-10-7-17(8-11-30)22-12-18-14-28-31(24(18)13-23(22)25)20-5-3-19(26)4-6-20/h3-7,12-16H,2,8-11H2,1H3.
What are the key properties of 6-chloro-1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole?
6-chloro-1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole has a molecular weight of 500.00 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole is sourced from PubChem (CID 166916309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).