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

C26H29FN6O2S — CID 166916231

IUPAC1-(4-fluorophenyl)-7-methyl-5-[4-(1-propylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole
SMILESCCCn1cc(S(=O)(=O)N2CCN(c3cc(C)c4c(cnn4-c4ccc(F)cc4)c3)CC23CC3)cn1
InChIInChI=1S/C26H29FN6O2S/c1-3-10-31-17-24(16-28-31)36(34,35)32-12-11-30(18-26(32)8-9-26)23-13-19(2)25-20(14-23)15-29-33(25)22-6-4-21(27)5-7-22/h4-7,13-17H,3,8-12,18H2,1-2H3
InChIKeyMCGGOJDFWINYHR-UHFFFAOYSA-N
MW508.62 g/mol
LogP4.12
Rot. Bonds6

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

1-(4-fluorophenyl)-7-methyl-5-[4-(1-propylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole (PubChem CID 166916231) has the molecular formula C26H29FN6O2S and a molecular weight of 508.62 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-7-methyl-5-[4-(1-propylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-7-methyl-5-[4-(1-propylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole
PubChem CID166916231
Molecular FormulaC26H29FN6O2S
Molecular Weight508.62 g/mol
Exact Mass508.21
IUPAC Name1-(4-fluorophenyl)-7-methyl-5-[4-(1-propylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole
SMILESCCCn1cc(S(=O)(=O)N2CCN(c3cc(C)c4c(cnn4-c4ccc(F)cc4)c3)CC23CC3)cn1
InChIInChI=1S/C26H29FN6O2S/c1-3-10-31-17-24(16-28-31)36(34,35)32-12-11-30(18-26(32)8-9-26)23-13-19(2)25-20(14-23)15-29-33(25)22-6-4-21(27)5-7-22/h4-7,13-17H,3,8-12,18H2,1-2H3
InChIKeyMCGGOJDFWINYHR-UHFFFAOYSA-N
XLogP4.12
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.62
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-fluorophenyl)-6-methyl-5-[4-(1-propylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]benzotriazole
CID 167337384
1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrrol-3-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole
CID 170273752
N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-3-methylpyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide
CID 166917285
1-(4-fluorophenyl)-6-methyl-5-[5-(1-propylpyrazol-4-yl)sulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]indazole
CID 166916265
5-[(3aS,5S,6aR)-5-methoxy-5-phenyl-2-(1-propylpyrazol-4-yl)sulfonyl-3,4,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-3a-yl]-1-(4-fluorophenyl)-6-methylindazole
CID 168961373
5-[7,7-difluoro-3-(1-propylpyrazol-4-yl)sulfonyl-3-azabicyclo[4.1.0]heptan-6-yl]-1-(4-fluorophenyl)-6-methylindole
CID 168865988
1-(4-fluorophenyl)-5-[(3R)-3-methyl-4-[1-(2-methylpropyl)pyrazol-4-yl]sulfonylpiperazin-1-yl]indazole
CID 166917314
[7-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4,7-diazaspiro[2.5]octan-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 166916420
5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]sulfonyl-3-methylpiperazin-1-yl]-1-(4-fluorophenyl)-6-methylindazole
CID 174232051
1-(4-fluorophenyl)-6-methyl-5-[1-(1-methylpyrazol-4-yl)sulfonyl-3-(phenoxymethyl)pyrrolidin-3-yl]indazole
CID 166916490
1-(3-methyl-4-pyridinyl)-4-(1-propylpyrazol-4-yl)sulfonyl-1,4-diazepane
CID 131923335
[4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-1-(1-propylpyrazol-4-yl)sulfinylpiperidin-4-yl]methanol
CID 166917383

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-7-methyl-5-[4-(1-propylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole?
The IUPAC name of 1-(4-fluorophenyl)-7-methyl-5-[4-(1-propylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole (CID 166916231) is 1-(4-fluorophenyl)-7-methyl-5-[4-(1-propylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole.
What is the SMILES notation for 1-(4-fluorophenyl)-7-methyl-5-[4-(1-propylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole?
The canonical SMILES for 1-(4-fluorophenyl)-7-methyl-5-[4-(1-propylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole is CCCn1cc(S(=O)(=O)N2CCN(c3cc(C)c4c(cnn4-c4ccc(F)cc4)c3)CC23CC3)cn1.
What is the InChIKey of 1-(4-fluorophenyl)-7-methyl-5-[4-(1-propylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole?
The InChIKey is MCGGOJDFWINYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6O2S/c1-3-10-31-17-24(16-28-31)36(34,35)32-12-11-30(18-26(32)8-9-26)23-13-19(2)25-20(14-23)15-29-33(25)22-6-4-21(27)5-7-22/h4-7,13-17H,3,8-12,18H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-7-methyl-5-[4-(1-propylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole?
1-(4-fluorophenyl)-7-methyl-5-[4-(1-propylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole has a molecular weight of 508.62 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-7-methyl-5-[4-(1-propylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole is sourced from PubChem (CID 166916231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).