1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole

C24H25FN6O2S — CID 166916137

IUPAC1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CCN(S(=O)(=O)c2cnn(C)c2)C2(CC2)C1
InChIInChI=1S/C24H25FN6O2S/c1-17-11-23-18(13-27-31(23)20-5-3-19(25)4-6-20)12-22(17)29-9-10-30(24(16-29)7-8-24)34(32,33)21-14-26-28(2)15-21/h3-6,11-15H,7-10,16H2,1-2H3
InChIKeySATLLTVBCUMIDM-UHFFFAOYSA-N
MW480.57 g/mol
LogP3.25
Rot. Bonds4

About 1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole

1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole (PubChem CID 166916137) has the molecular formula C24H25FN6O2S and a molecular weight of 480.57 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole
PubChem CID166916137
Molecular FormulaC24H25FN6O2S
Molecular Weight480.57 g/mol
Exact Mass480.17
IUPAC Name1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CCN(S(=O)(=O)c2cnn(C)c2)C2(CC2)C1
InChIInChI=1S/C24H25FN6O2S/c1-17-11-23-18(13-27-31(23)20-5-3-19(25)4-6-20)12-22(17)29-9-10-30(24(16-29)7-8-24)34(32,33)21-14-26-28(2)15-21/h3-6,11-15H,7-10,16H2,1-2H3
InChIKeySATLLTVBCUMIDM-UHFFFAOYSA-N
XLogP3.25
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-cyclopentyl-N-[(2S)-1-[[1-(4-fluorophenyl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide
CID 16665449
US11787780, Example 117
CID 163429989
US11787780, Example 33
CID 163454585
US11787780, Example 15
CID 163475853
US11787780, Example 13
CID 163518189
US11787780, Example 12
CID 163518190
US11787780, Example 6
CID 163619812
US11787780, Example 124
CID 163625856
US11787780, Example 127
CID 163625857
US11787780, Example 40
CID 163652456
US11787780, Example 5
CID 163693397
US11787780, Example 125
CID 163768120

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole?
The IUPAC name of 1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole (CID 166916137) is 1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole.
What is the SMILES notation for 1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole?
The canonical SMILES for 1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole is Cc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CCN(S(=O)(=O)c2cnn(C)c2)C2(CC2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole?
The InChIKey is SATLLTVBCUMIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O2S/c1-17-11-23-18(13-27-31(23)20-5-3-19(25)4-6-20)12-22(17)29-9-10-30(24(16-29)7-8-24)34(32,33)21-14-26-28(2)15-21/h3-6,11-15H,7-10,16H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole?
1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole has a molecular weight of 480.57 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole is sourced from PubChem (CID 166916137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).