1-tert-butyl-3-[4-cyclopropyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethylbutyl]urea;1-tert-butyl-3-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethylhexyl]urea;N-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-1,3-thiazol-2-amine;N-[2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]pentyl]ethanesulfonamide

C107H125F4N15O4S2 — CID 158296280

IUPAC1-tert-butyl-3-[4-cyclopropyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethylbutyl]urea;1-tert-butyl-3-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethylhexyl]urea;N-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-1,3-thiazol-2-amine;N-[2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]pentyl]ethanesulfonamide
SMILESCC(C)(C)NC(=O)NCC(C)(C)C(CC1CC1)c1ccc2c(cnn2-c2ccc(F)cc2)c1.CC(C)(CNc1nccs1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1.CCCC(CNS(=O)(=O)CC)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1.CCCC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(C)(C)CNC(=O)NC(C)(C)C
InChIInChI=1S/C27H35FN4O.C27H25FN4S.C27H30FN3O2S.C26H35FN4O/c1-26(2,3)31-25(33)29-17-27(4,5)23(14-18-6-7-18)19-8-13-24-20(15-19)16-30-32(24)22-11-9-21(28)10-12-22;1-27(2,18-30-26-29-14-15-33-26)25(19-6-4-3-5-7-19)20-8-13-24-21(16-20)17-31-32(24)23-11-9-22(28)10-12-23;1-3-8-22(19-30-34(32,33)4-2)27(20-9-6-5-7-10-20)21-11-16-26-23(17-21)18-29-31(26)25-14-12-24(28)13-15-25;1-7-8-22(26(5,6)17-28-24(32)30-25(2,3)4)18-9-14-23-19(15-18)16-29-31(23)21-12-10-20(27)11-13-21/h8-13,15-16,18,23H,6-7,14,17H2,1-5H3,(H2,29,31,33);3-17,25H,18H2,1-2H3,(H,29,30);5-7,9-18,22,27,30H,3-4,8,19H2,1-2H3;9-16,22H,7-8,17H2,1-6H3,(H2,28,30,32)
InChIKeyGLYDVFQQIJCCQL-UHFFFAOYSA-N
MW1825.40 g/mol
LogP24.89
Rot. Bonds31

About 1-tert-butyl-3-[4-cyclopropyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethylbutyl]urea;1-tert-butyl-3-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethylhexyl]urea;N-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-1,3-thiazol-2-amine;N-[2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]pentyl]ethanesulfonamide

1-tert-butyl-3-[4-cyclopropyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethylbutyl]urea;1-tert-butyl-3-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethylhexyl]urea;N-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-1,3-thiazol-2-amine;N-[2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]pentyl]ethanesulfonamide (PubChem CID 158296280) has the molecular formula C107H125F4N15O4S2 and a molecular weight of 1825.40 g/mol. Its IUPAC name is 1-tert-butyl-3-[4-cyclopropyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethylbutyl]urea;1-tert-butyl-3-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethylhexyl]urea;N-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-1,3-thiazol-2-amine;N-[2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]pentyl]ethanesulfonamide.

Molecular Properties

Compound Name1-tert-butyl-3-[4-cyclopropyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethylbutyl]urea;1-tert-butyl-3-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethylhexyl]urea;N-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-1,3-thiazol-2-amine;N-[2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]pentyl]ethanesulfonamide
PubChem CID158296280
Molecular FormulaC107H125F4N15O4S2
Molecular Weight1825.40 g/mol
Exact Mass1823.94
IUPAC Name1-tert-butyl-3-[4-cyclopropyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethylbutyl]urea;1-tert-butyl-3-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethylhexyl]urea;N-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-1,3-thiazol-2-amine;N-[2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]pentyl]ethanesulfonamide
SMILESCC(C)(C)NC(=O)NCC(C)(C)C(CC1CC1)c1ccc2c(cnn2-c2ccc(F)cc2)c1.CC(C)(CNc1nccs1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1.CCCC(CNS(=O)(=O)CC)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1.CCCC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(C)(C)CNC(=O)NC(C)(C)C
InChIInChI=1S/C27H35FN4O.C27H25FN4S.C27H30FN3O2S.C26H35FN4O/c1-26(2,3)31-25(33)29-17-27(4,5)23(14-18-6-7-18)19-8-13-24-20(15-19)16-30-32(24)22-11-9-21(28)10-12-22;1-27(2,18-30-26-29-14-15-33-26)25(19-6-4-3-5-7-19)20-8-13-24-21(16-20)17-31-32(24)23-11-9-22(28)10-12-23;1-3-8-22(19-30-34(32,33)4-2)27(20-9-6-5-7-10-20)21-11-16-26-23(17-21)18-29-31(26)25-14-12-24(28)13-15-25;1-7-8-22(26(5,6)17-28-24(32)30-25(2,3)4)18-9-14-23-19(15-18)16-29-31(23)21-12-10-20(27)11-13-21/h8-13,15-16,18,23H,6-7,14,17H2,1-5H3,(H2,29,31,33);3-17,25H,18H2,1-2H3,(H,29,30);5-7,9-18,22,27,30H,3-4,8,19H2,1-2H3;9-16,22H,7-8,17H2,1-6H3,(H2,28,30,32)
InChIKeyGLYDVFQQIJCCQL-UHFFFAOYSA-N
XLogP24.89
TPSA224.63 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds31
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001825.40
LogP ≤ 524.89
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze 1-tert-butyl-3-[4-cyclopropyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethylbutyl]urea;1-tert-butyl-3-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethylhexyl]urea;N-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-1,3-thiazol-2-amine;N-[2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]pentyl]ethanesulfonamide with MolForge

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Related Compounds

3-(4-fluorophenyl)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide;(E)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)hept-5-enamide;3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,5-trimethyl-N-(1,3-thiazol-2-yl)hex-4-enamide;3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,5-trimethyl-N-(1,3-thiazol-2-yl)hex-5-enamide
CID 158534105
1-[4-Fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;bis(1-[4-fluoro-2-(2-methylpyrazol-3-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea);1-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-2-propan-2-yl-6-pyridin-4-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-propan-2-yl-6-(1,3-thiazol-5-yl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
CID 159460135
3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]-3-methyl-N-(1,3-thiazol-2-yl)butanamide;2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]-N-(1,3-thiazol-2-yl)butanamide;2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]-N-(1,3-thiazol-2-yl)pentanamide
CID 159769585
3-(3-fluorophenyl)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide;3-(4-fluorophenyl)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide;3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-(3-methylphenyl)-N-(1,3-thiazol-2-yl)propanamide;3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-(4-methylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 159840920
3-cyclopropyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide;3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)hexanamide;3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)hex-5-enamide;3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,4-trimethyl-N-(1,3-thiazol-2-yl)pentanamide
CID 160582294
2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide;2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-3-phenyl-N-thiophen-3-ylpropanamide;3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3-phenylpropanamide;bis(3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide)
CID 160619517
3-(3-fluorophenyl)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide;3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-(2-methylphenyl)-N-(1,3-thiazol-2-yl)propanamide;3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-(3-methylphenyl)-N-(1,3-thiazol-2-yl)propanamide;3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-(4-methylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 161738812
3-cyclohexyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide;2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide;2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-3-phenyl-N-(1H-1,2,4-triazol-5-yl)propanamide;3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-(2-methylphenyl)-N-(1,3-thiazol-2-yl)propanamide;3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,5-trimethyl-N-(1,3-thiazol-2-yl)hexanamide
CID 161859239
2-benzyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;2-cyclohexyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;2-cyclopentyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-[1-(4-fluorophenyl)indazol-5-yl]-2,3-diphenyl-N-(1,3-thiazol-2-yl)propanamide
CID 162265997

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[4-cyclopropyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethylbutyl]urea;1-tert-butyl-3-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethylhexyl]urea;N-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-1,3-thiazol-2-amine;N-[2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]pentyl]ethanesulfonamide?
The IUPAC name of 1-tert-butyl-3-[4-cyclopropyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethylbutyl]urea;1-tert-butyl-3-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethylhexyl]urea;N-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-1,3-thiazol-2-amine;N-[2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]pentyl]ethanesulfonamide (CID 158296280) is 1-tert-butyl-3-[4-cyclopropyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethylbutyl]urea;1-tert-butyl-3-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethylhexyl]urea;N-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-1,3-thiazol-2-amine;N-[2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]pentyl]ethanesulfonamide.
What is the SMILES notation for 1-tert-butyl-3-[4-cyclopropyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethylbutyl]urea;1-tert-butyl-3-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethylhexyl]urea;N-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-1,3-thiazol-2-amine;N-[2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]pentyl]ethanesulfonamide?
The canonical SMILES for 1-tert-butyl-3-[4-cyclopropyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethylbutyl]urea;1-tert-butyl-3-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethylhexyl]urea;N-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-1,3-thiazol-2-amine;N-[2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]pentyl]ethanesulfonamide is CC(C)(C)NC(=O)NCC(C)(C)C(CC1CC1)c1ccc2c(cnn2-c2ccc(F)cc2)c1.CC(C)(CNc1nccs1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1.CCCC(CNS(=O)(=O)CC)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1.CCCC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(C)(C)CNC(=O)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-3-[4-cyclopropyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethylbutyl]urea;1-tert-butyl-3-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethylhexyl]urea;N-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-1,3-thiazol-2-amine;N-[2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]pentyl]ethanesulfonamide?
The InChIKey is GLYDVFQQIJCCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35FN4O.C27H25FN4S.C27H30FN3O2S.C26H35FN4O/c1-26(2,3)31-25(33)29-17-27(4,5)23(14-18-6-7-18)19-8-13-24-20(15-19)16-30-32(24)22-11-9-21(28)10-12-22;1-27(2,18-30-26-29-14-15-33-26)25(19-6-4-3-5-7-19)20-8-13-24-21(16-20)17-31-32(24)23-11-9-22(28)10-12-23;1-3-8-22(19-30-34(32,33)4-2)27(20-9-6-5-7-10-20)21-11-16-26-23(17-21)18-29-31(26)25-14-12-24(28)13-15-25;1-7-8-22(26(5,6)17-28-24(32)30-25(2,3)4)18-9-14-23-19(15-18)16-29-31(23)21-12-10-20(27)11-13-21/h8-13,15-16,18,23H,6-7,14,17H2,1-5H3,(H2,29,31,33);3-17,25H,18H2,1-2H3,(H,29,30);5-7,9-18,22,27,30H,3-4,8,19H2,1-2H3;9-16,22H,7-8,17H2,1-6H3,(H2,28,30,32).
What are the key properties of 1-tert-butyl-3-[4-cyclopropyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethylbutyl]urea;1-tert-butyl-3-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethylhexyl]urea;N-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-1,3-thiazol-2-amine;N-[2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]pentyl]ethanesulfonamide?
1-tert-butyl-3-[4-cyclopropyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethylbutyl]urea;1-tert-butyl-3-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethylhexyl]urea;N-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-1,3-thiazol-2-amine;N-[2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]pentyl]ethanesulfonamide has a molecular weight of 1825.40 g/mol, XLogP of 24.89, 31 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[4-cyclopropyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethylbutyl]urea;1-tert-butyl-3-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethylhexyl]urea;N-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-1,3-thiazol-2-amine;N-[2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]pentyl]ethanesulfonamide is sourced from PubChem (CID 158296280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).