1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrrol-3-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole

C25H26FN5O2S — CID 170273752

IUPAC1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrrol-3-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CCN(S(=O)(=O)c2ccn(C)c2)C2(CC2)C1
InChIInChI=1S/C25H26FN5O2S/c1-18-13-24-19(15-27-31(24)21-5-3-20(26)4-6-21)14-23(18)29-11-12-30(25(17-29)8-9-25)34(32,33)22-7-10-28(2)16-22/h3-7,10,13-16H,8-9,11-12,17H2,1-2H3
InChIKeyMGDPRUMZJOOWTB-UHFFFAOYSA-N
MW479.58 g/mol
LogP3.86
Rot. Bonds4

About 1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrrol-3-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole

1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrrol-3-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole (PubChem CID 170273752) has the molecular formula C25H26FN5O2S and a molecular weight of 479.58 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrrol-3-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrrol-3-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole
PubChem CID170273752
Molecular FormulaC25H26FN5O2S
Molecular Weight479.58 g/mol
Exact Mass479.18
IUPAC Name1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrrol-3-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CCN(S(=O)(=O)c2ccn(C)c2)C2(CC2)C1
InChIInChI=1S/C25H26FN5O2S/c1-18-13-24-19(15-27-31(24)21-5-3-20(26)4-6-21)14-23(18)29-11-12-30(25(17-29)8-9-25)34(32,33)22-7-10-28(2)16-22/h3-7,10,13-16H,8-9,11-12,17H2,1-2H3
InChIKeyMGDPRUMZJOOWTB-UHFFFAOYSA-N
XLogP3.86
TPSA63.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrrol-3-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrrol-3-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole?
The IUPAC name of 1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrrol-3-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole (CID 170273752) is 1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrrol-3-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-methylpyrrol-3-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole?
The canonical SMILES for 1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrrol-3-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole is Cc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CCN(S(=O)(=O)c2ccn(C)c2)C2(CC2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrrol-3-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole?
The InChIKey is MGDPRUMZJOOWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O2S/c1-18-13-24-19(15-27-31(24)21-5-3-20(26)4-6-21)14-23(18)29-11-12-30(25(17-29)8-9-25)34(32,33)22-7-10-28(2)16-22/h3-7,10,13-16H,8-9,11-12,17H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrrol-3-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole?
1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrrol-3-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole has a molecular weight of 479.58 g/mol, XLogP of 3.86, 4 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-[4-(1-methylpyrrol-3-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole is sourced from PubChem (CID 170273752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).