(3S)-3-[(1R)-1-[6-(1,3-dimethylindazol-5-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(1-fluoroethyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]indazol-4-yl]oxyethyl]cyclopentan-1-one

C71H79F4N11O6 — CID 158833433

IUPAC(3S)-3-[(1R)-1-[6-(1,3-dimethylindazol-5-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(1-fluoroethyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]indazol-4-yl]oxyethyl]cyclopentan-1-one
SMILESCC(F)n1cc(-c2cc(O[C@H](C)[C@H]3CCC(=O)C3)c3cn(C)nc3c2)cn1.C[C@@H](Oc1cc(-c2ccc(N3CCCCC3)c(C(F)(F)F)c2)cc2nn(C)cc12)[C@H]1CCC(=O)C1.Cc1nn(C)c2ccc(-c3cc(O[C@H](C)[C@H]4CCC(=O)C4)c4cn(C)nc4c3)cc12
InChIInChI=1S/C27H30F3N3O2.C24H26N4O2.C20H23FN4O2/c1-17(18-6-8-21(34)12-18)35-26-15-20(14-24-22(26)16-32(2)31-24)19-7-9-25(23(13-19)27(28,29)30)33-10-4-3-5-11-33;1-14-20-10-17(6-8-23(20)28(4)25-14)18-11-22-21(13-27(3)26-22)24(12-18)30-15(2)16-5-7-19(29)9-16;1-12(14-4-5-17(26)6-14)27-20-8-15(7-19-18(20)11-24(3)23-19)16-9-22-25(10-16)13(2)21/h7,9,13-18H,3-6,8,10-12H2,1-2H3;6,8,10-13,15-16H,5,7,9H2,1-4H3;7-14H,4-6H2,1-3H3/t17-,18+;15-,16+;12-,13?,14+/m111/s1
InChIKeyIXIIDTANFHGFDY-IFDKUVPNSA-N
MW1258.48 g/mol
LogP15.02
Rot. Bonds14

About (3S)-3-[(1R)-1-[6-(1,3-dimethylindazol-5-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(1-fluoroethyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]indazol-4-yl]oxyethyl]cyclopentan-1-one

(3S)-3-[(1R)-1-[6-(1,3-dimethylindazol-5-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(1-fluoroethyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]indazol-4-yl]oxyethyl]cyclopentan-1-one (PubChem CID 158833433) has the molecular formula C71H79F4N11O6 and a molecular weight of 1258.48 g/mol. Its IUPAC name is (3S)-3-[(1R)-1-[6-(1,3-dimethylindazol-5-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(1-fluoroethyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]indazol-4-yl]oxyethyl]cyclopentan-1-one.

Molecular Properties

Compound Name(3S)-3-[(1R)-1-[6-(1,3-dimethylindazol-5-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(1-fluoroethyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]indazol-4-yl]oxyethyl]cyclopentan-1-one
PubChem CID158833433
Molecular FormulaC71H79F4N11O6
Molecular Weight1258.48 g/mol
Exact Mass1257.62
IUPAC Name(3S)-3-[(1R)-1-[6-(1,3-dimethylindazol-5-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(1-fluoroethyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]indazol-4-yl]oxyethyl]cyclopentan-1-one
SMILESCC(F)n1cc(-c2cc(O[C@H](C)[C@H]3CCC(=O)C3)c3cn(C)nc3c2)cn1.C[C@@H](Oc1cc(-c2ccc(N3CCCCC3)c(C(F)(F)F)c2)cc2nn(C)cc12)[C@H]1CCC(=O)C1.Cc1nn(C)c2ccc(-c3cc(O[C@H](C)[C@H]4CCC(=O)C4)c4cn(C)nc4c3)cc12
InChIInChI=1S/C27H30F3N3O2.C24H26N4O2.C20H23FN4O2/c1-17(18-6-8-21(34)12-18)35-26-15-20(14-24-22(26)16-32(2)31-24)19-7-9-25(23(13-19)27(28,29)30)33-10-4-3-5-11-33;1-14-20-10-17(6-8-23(20)28(4)25-14)18-11-22-21(13-27(3)26-22)24(12-18)30-15(2)16-5-7-19(29)9-16;1-12(14-4-5-17(26)6-14)27-20-8-15(7-19-18(20)11-24(3)23-19)16-9-22-25(10-16)13(2)21/h7,9,13-18H,3-6,8,10-12H2,1-2H3;6,8,10-13,15-16H,5,7,9H2,1-4H3;7-14H,4-6H2,1-3H3/t17-,18+;15-,16+;12-,13?,14+/m111/s1
InChIKeyIXIIDTANFHGFDY-IFDKUVPNSA-N
XLogP15.02
TPSA171.24 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds14
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001258.48
LogP ≤ 515.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze (3S)-3-[(1R)-1-[6-(1,3-dimethylindazol-5-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(1-fluoroethyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]indazol-4-yl]oxyethyl]cyclopentan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

3-[1-[2-Methyl-6-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]indazol-4-yl]oxyethyl]cyclohexan-1-one
CID 123858292
(3S)-3-[(1R)-1-[6-[1-(3,3-difluorocyclopentyl)pyrazol-4-yl]-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclohexan-1-one
CID 139325411
(3S)-3-[(1R)-1-[2-methyl-6-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]indazol-4-yl]oxyethyl]cyclopentan-1-one
CID 147633531
(3S)-3-[(1R)-1-[3-fluoro-6-[1-(3-fluoro-3-methylcyclopentyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one
CID 147976198
(3S)-3-[(1R)-1-[3-fluoro-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one
CID 148588016
(3S)-3-[(1R)-1-[6-[4-(1,1-difluoroethyl)phenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(1-ethylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(6-ethyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-methylindol-5-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one
CID 157339402
(3S)-3-[(1R)-1-[2-methyl-6-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one
CID 157464732
(3S)-3-[(1R)-1-[6-[2-(difluoromethyl)-1,3-thiazol-4-yl]-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-(1-methylidene-1-oxo-1,2-thiazolidin-2-yl)phenyl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1,3-thiazol-4-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one
CID 158028675
(3S)-3-[(1R)-1-[6-[1-(3-fluoro-3-methylcyclopentyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one
CID 158140581
2-[4-[2,3-dimethyl-4-[(1R)-1-[(1S)-3-oxocyclopentyl]ethoxy]indazol-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;(3S)-3-[(1R)-1-[6-[1-(2-fluoroethyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-2-methyl-6-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one
CID 158244181
(3S)-3-[(1R)-1-[6-[4-(1,1-difluoroethyl)phenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(6-ethyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(1-ethylpyrrol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-methylindol-5-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one
CID 158474276
(3S)-3-[(1R)-1-[6-[2-(difluoromethyl)-1,3-thiazol-4-yl]-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-(1-methylidene-1-oxo-1,2-thiazolidin-2-yl)phenyl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]indazol-4-yl]oxyethyl]cyclopentan-1-one
CID 158490321

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1R)-1-[6-(1,3-dimethylindazol-5-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(1-fluoroethyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]indazol-4-yl]oxyethyl]cyclopentan-1-one?
The IUPAC name of (3S)-3-[(1R)-1-[6-(1,3-dimethylindazol-5-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(1-fluoroethyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]indazol-4-yl]oxyethyl]cyclopentan-1-one (CID 158833433) is (3S)-3-[(1R)-1-[6-(1,3-dimethylindazol-5-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(1-fluoroethyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]indazol-4-yl]oxyethyl]cyclopentan-1-one.
What is the SMILES notation for (3S)-3-[(1R)-1-[6-(1,3-dimethylindazol-5-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(1-fluoroethyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]indazol-4-yl]oxyethyl]cyclopentan-1-one?
The canonical SMILES for (3S)-3-[(1R)-1-[6-(1,3-dimethylindazol-5-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(1-fluoroethyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]indazol-4-yl]oxyethyl]cyclopentan-1-one is CC(F)n1cc(-c2cc(O[C@H](C)[C@H]3CCC(=O)C3)c3cn(C)nc3c2)cn1.C[C@@H](Oc1cc(-c2ccc(N3CCCCC3)c(C(F)(F)F)c2)cc2nn(C)cc12)[C@H]1CCC(=O)C1.Cc1nn(C)c2ccc(-c3cc(O[C@H](C)[C@H]4CCC(=O)C4)c4cn(C)nc4c3)cc12.
What is the InChIKey of (3S)-3-[(1R)-1-[6-(1,3-dimethylindazol-5-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(1-fluoroethyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]indazol-4-yl]oxyethyl]cyclopentan-1-one?
The InChIKey is IXIIDTANFHGFDY-IFDKUVPNSA-N. The full InChI is InChI=1S/C27H30F3N3O2.C24H26N4O2.C20H23FN4O2/c1-17(18-6-8-21(34)12-18)35-26-15-20(14-24-22(26)16-32(2)31-24)19-7-9-25(23(13-19)27(28,29)30)33-10-4-3-5-11-33;1-14-20-10-17(6-8-23(20)28(4)25-14)18-11-22-21(13-27(3)26-22)24(12-18)30-15(2)16-5-7-19(29)9-16;1-12(14-4-5-17(26)6-14)27-20-8-15(7-19-18(20)11-24(3)23-19)16-9-22-25(10-16)13(2)21/h7,9,13-18H,3-6,8,10-12H2,1-2H3;6,8,10-13,15-16H,5,7,9H2,1-4H3;7-14H,4-6H2,1-3H3/t17-,18+;15-,16+;12-,13?,14+/m111/s1.
What are the key properties of (3S)-3-[(1R)-1-[6-(1,3-dimethylindazol-5-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(1-fluoroethyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]indazol-4-yl]oxyethyl]cyclopentan-1-one?
(3S)-3-[(1R)-1-[6-(1,3-dimethylindazol-5-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(1-fluoroethyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]indazol-4-yl]oxyethyl]cyclopentan-1-one has a molecular weight of 1258.48 g/mol, XLogP of 15.02, 14 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1R)-1-[6-(1,3-dimethylindazol-5-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(1-fluoroethyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]indazol-4-yl]oxyethyl]cyclopentan-1-one is sourced from PubChem (CID 158833433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).