(3S)-3-[(1R)-1-[2-methyl-6-(1-methylindol-5-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(6-propan-2-yloxy-3-pyridinyl)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

C65H71N9O7S — CID 158177076

IUPAC(3S)-3-[(1R)-1-[2-methyl-6-(1-methylindol-5-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(6-propan-2-yloxy-3-pyridinyl)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
SMILESCC(C)Oc1ccc(-c2cc(O[C@H](C)[C@H]3CCC(=O)C3)c3cn(C)nc3c2)cn1.C[C@@H](Oc1cc(-c2ccc3c(ccn3C)c2)cc2nn(C)cc12)[C@H]1CCC(=O)C1.C[C@@H](Oc1cc(-c2cscn2)cc2nn(C)cc12)[C@H]1CCC(=O)C1
InChIInChI=1S/C24H25N3O2.C23H27N3O3.C18H19N3O2S/c1-15(16-4-6-20(28)11-16)29-24-13-19(12-22-21(24)14-27(3)25-22)17-5-7-23-18(10-17)8-9-26(23)2;1-14(2)28-23-8-6-17(12-24-23)18-10-21-20(13-26(4)25-21)22(11-18)29-15(3)16-5-7-19(27)9-16;1-11(12-3-4-14(22)5-12)23-18-7-13(17-9-24-10-19-17)6-16-15(18)8-21(2)20-16/h5,7-10,12-16H,4,6,11H2,1-3H3;6,8,10-16H,5,7,9H2,1-4H3;6-12H,3-5H2,1-2H3/t2*15-,16+;11-,12+/m111/s1
InChIKeyFYCZCCZOZYTYMW-KHLMJJSPSA-N
MW1122.41 g/mol
LogP13.26
Rot. Bonds14

About (3S)-3-[(1R)-1-[2-methyl-6-(1-methylindol-5-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(6-propan-2-yloxy-3-pyridinyl)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

(3S)-3-[(1R)-1-[2-methyl-6-(1-methylindol-5-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(6-propan-2-yloxy-3-pyridinyl)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 (PubChem CID 158177076) has the molecular formula C65H71N9O7S and a molecular weight of 1122.41 g/mol. Its IUPAC name is (3S)-3-[(1R)-1-[2-methyl-6-(1-methylindol-5-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(6-propan-2-yloxy-3-pyridinyl)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.

Molecular Properties

Compound Name(3S)-3-[(1R)-1-[2-methyl-6-(1-methylindol-5-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(6-propan-2-yloxy-3-pyridinyl)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
PubChem CID158177076
Molecular FormulaC65H71N9O7S
Molecular Weight1122.41 g/mol
Exact Mass1121.52
IUPAC Name(3S)-3-[(1R)-1-[2-methyl-6-(1-methylindol-5-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(6-propan-2-yloxy-3-pyridinyl)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
SMILESCC(C)Oc1ccc(-c2cc(O[C@H](C)[C@H]3CCC(=O)C3)c3cn(C)nc3c2)cn1.C[C@@H](Oc1cc(-c2ccc3c(ccn3C)c2)cc2nn(C)cc12)[C@H]1CCC(=O)C1.C[C@@H](Oc1cc(-c2cscn2)cc2nn(C)cc12)[C@H]1CCC(=O)C1
InChIInChI=1S/C24H25N3O2.C23H27N3O3.C18H19N3O2S/c1-15(16-4-6-20(28)11-16)29-24-13-19(12-22-21(24)14-27(3)25-22)17-5-7-23-18(10-17)8-9-26(23)2;1-14(2)28-23-8-6-17(12-24-23)18-10-21-20(13-26(4)25-21)22(11-18)29-15(3)16-5-7-19(27)9-16;1-11(12-3-4-14(22)5-12)23-18-7-13(17-9-24-10-19-17)6-16-15(18)8-21(2)20-16/h5,7-10,12-16H,4,6,11H2,1-3H3;6,8,10-16H,5,7,9H2,1-4H3;6-12H,3-5H2,1-2H3/t2*15-,16+;11-,12+/m111/s1
InChIKeyFYCZCCZOZYTYMW-KHLMJJSPSA-N
XLogP13.26
TPSA172.30 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds14
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001122.41
LogP ≤ 513.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze (3S)-3-[(1R)-1-[2-methyl-6-(1-methylindol-5-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(6-propan-2-yloxy-3-pyridinyl)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 with MolForge

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Related Compounds

(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-[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
(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
(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-[6-(5-fluoro-2-pyridinyl)-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 160285320
(3S)-3-[(1R)-1-[6-[2-(1-fluoroethyl)-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-(3H-pyrrol-5-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one
CID 161401724
(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-(5-methyl-2-pyridinyl)indazol-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 161759394
(3S)-3-[(1R)-1-[6-[2-(1-fluoroethyl)-1,3-thiazol-4-yl]-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one
CID 161401726
(4R)-4-[(1R)-1-[6-[2-(difluoromethyl)-1,3-thiazol-4-yl]-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(1,3-thiazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one
CID 144922950
(3S)-3-[(1R)-1-[2-methyl-6-(1,3-thiazol-4-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one
CID 148333316
(3S)-3-[(1R)-1-[2-methyl-6-(1-methylindol-5-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(4-piperidin-1-ylphenyl)indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(6-propan-2-yloxy-3-pyridinyl)indazol-4-yl]oxyethyl]cyclopentan-1-one
CID 157854352
(3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(4-piperidin-1-ylphenyl)indazol-4-yl]oxyethyl]cyclopentan-1-one
CID 158234856
(3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2,3-dimethyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one
CID 158568452

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1R)-1-[2-methyl-6-(1-methylindol-5-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(6-propan-2-yloxy-3-pyridinyl)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?
The IUPAC name of (3S)-3-[(1R)-1-[2-methyl-6-(1-methylindol-5-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(6-propan-2-yloxy-3-pyridinyl)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 158177076) is (3S)-3-[(1R)-1-[2-methyl-6-(1-methylindol-5-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(6-propan-2-yloxy-3-pyridinyl)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.
What is the SMILES notation for (3S)-3-[(1R)-1-[2-methyl-6-(1-methylindol-5-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(6-propan-2-yloxy-3-pyridinyl)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?
The canonical SMILES for (3S)-3-[(1R)-1-[2-methyl-6-(1-methylindol-5-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(6-propan-2-yloxy-3-pyridinyl)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 is CC(C)Oc1ccc(-c2cc(O[C@H](C)[C@H]3CCC(=O)C3)c3cn(C)nc3c2)cn1.C[C@@H](Oc1cc(-c2ccc3c(ccn3C)c2)cc2nn(C)cc12)[C@H]1CCC(=O)C1.C[C@@H](Oc1cc(-c2cscn2)cc2nn(C)cc12)[C@H]1CCC(=O)C1.
What is the InChIKey of (3S)-3-[(1R)-1-[2-methyl-6-(1-methylindol-5-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(6-propan-2-yloxy-3-pyridinyl)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?
The InChIKey is FYCZCCZOZYTYMW-KHLMJJSPSA-N. The full InChI is InChI=1S/C24H25N3O2.C23H27N3O3.C18H19N3O2S/c1-15(16-4-6-20(28)11-16)29-24-13-19(12-22-21(24)14-27(3)25-22)17-5-7-23-18(10-17)8-9-26(23)2;1-14(2)28-23-8-6-17(12-24-23)18-10-21-20(13-26(4)25-21)22(11-18)29-15(3)16-5-7-19(27)9-16;1-11(12-3-4-14(22)5-12)23-18-7-13(17-9-24-10-19-17)6-16-15(18)8-21(2)20-16/h5,7-10,12-16H,4,6,11H2,1-3H3;6,8,10-16H,5,7,9H2,1-4H3;6-12H,3-5H2,1-2H3/t2*15-,16+;11-,12+/m111/s1.
What are the key properties of (3S)-3-[(1R)-1-[2-methyl-6-(1-methylindol-5-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(6-propan-2-yloxy-3-pyridinyl)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?
(3S)-3-[(1R)-1-[2-methyl-6-(1-methylindol-5-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(6-propan-2-yloxy-3-pyridinyl)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 has a molecular weight of 1122.41 g/mol, XLogP of 13.26, 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-[2-methyl-6-(1-methylindol-5-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(6-propan-2-yloxy-3-pyridinyl)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 is sourced from PubChem (CID 158177076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).