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

C25H26FN5O2S — CID 166916527

IUPAC1-(4-fluorophenyl)-6-methyl-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)c4cc3C)CC2)cn1
InChIInChI=1S/C25H26FN5O2S/c1-3-10-29-17-23(16-27-29)34(32,33)30-11-8-19(9-12-30)24-14-20-15-28-31(25(20)13-18(24)2)22-6-4-21(26)5-7-22/h4-8,13-17H,3,9-12H2,1-2H3
InChIKeyMRYHUIKYPPMWHL-UHFFFAOYSA-N
MW479.58 g/mol
LogP4.56
Rot. Bonds6

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

1-(4-fluorophenyl)-6-methyl-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole (PubChem CID 166916527) has the molecular formula C25H26FN5O2S and a molecular weight of 479.58 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-methyl-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-methyl-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole
PubChem CID166916527
Molecular FormulaC25H26FN5O2S
Molecular Weight479.58 g/mol
Exact Mass479.18
IUPAC Name1-(4-fluorophenyl)-6-methyl-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)c4cc3C)CC2)cn1
InChIInChI=1S/C25H26FN5O2S/c1-3-10-29-17-23(16-27-29)34(32,33)30-11-8-19(9-12-30)24-14-20-15-28-31(25(20)13-18(24)2)22-6-4-21(26)5-7-22/h4-8,13-17H,3,9-12H2,1-2H3
InChIKeyMRYHUIKYPPMWHL-UHFFFAOYSA-N
XLogP4.56
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-Ethyl-8-(4-Ethylphenyl)-5-Methyl-1,5-Dihydropyrazolo[4,3-C][2,1]benzothiazine 4,4-Dioxide
CID 71578921
N-[4-[1-(4-Fluorophenyl)-1H-indazol-5-yl-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 24882669
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]ethanesulfonamide
CID 24936314
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropyl]methanesulfonamide
CID 73352322
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropyl]ethanesulfonamide
CID 73355320
N-[(2S)-4-[1-(4-fluorophenyl)indazol-4-yl]butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 16665608
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]propane-1-sulfonamide
CID 59251055
4-[1-(4-fluorophenyl)indazol-5-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide
CID 46831400
N-ethyl-4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 46831696
4-[1-(4-fluorophenyl)indazol-5-yl]-N-propyl-3-(trifluoromethyl)benzenesulfonamide
CID 46831698
4-[1-(4-fluorophenyl)indazol-5-yl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 46831699
N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]ethanesulfonamide
CID 46831700

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-methyl-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole?
The IUPAC name of 1-(4-fluorophenyl)-6-methyl-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole (CID 166916527) is 1-(4-fluorophenyl)-6-methyl-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole.
What is the SMILES notation for 1-(4-fluorophenyl)-6-methyl-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole?
The canonical SMILES for 1-(4-fluorophenyl)-6-methyl-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)c4cc3C)CC2)cn1.
What is the InChIKey of 1-(4-fluorophenyl)-6-methyl-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole?
The InChIKey is MRYHUIKYPPMWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O2S/c1-3-10-29-17-23(16-27-29)34(32,33)30-11-8-19(9-12-30)24-14-20-15-28-31(25(20)13-18(24)2)22-6-4-21(26)5-7-22/h4-8,13-17H,3,9-12H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-6-methyl-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole?
1-(4-fluorophenyl)-6-methyl-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole has a molecular weight of 479.58 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-methyl-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole is sourced from PubChem (CID 166916527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).