(3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2,3-dimethyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-2-methyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one

C75H95FN12O8 — CID 162017986

IUPAC(3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2,3-dimethyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-2-methyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one
SMILESC[C@@H](Oc1cc(-c2cnn(C3CC(C)(C)OC3(C)C)c2)cc2nn(C)c(F)c12)[C@H]1CCC(=O)C1.Cc1c2c(O[C@H](C)[C@H]3CCC(=O)C3)cc(-c3cnn(C4CC(C)(C)OC4(C)C)c3)cc2nn1C.Cc1c2c(O[C@H](C)[C@H]3CCC(=O)C3)cc(-c3cnn(C4CC4)c3)cc2nn1C
InChIInChI=1S/C27H36N4O3.C26H33FN4O3.C22H26N4O2/c1-16-25-22(29-30(16)7)11-19(12-23(25)33-17(2)18-8-9-21(32)10-18)20-14-28-31(15-20)24-13-26(3,4)34-27(24,5)6;1-15(16-7-8-19(32)9-16)33-21-11-17(10-20-23(21)24(27)30(6)29-20)18-13-28-31(14-18)22-12-25(2,3)34-26(22,4)5;1-13-22-20(24-25(13)3)9-16(17-11-23-26(12-17)18-5-6-18)10-21(22)28-14(2)15-4-7-19(27)8-15/h11-12,14-15,17-18,24H,8-10,13H2,1-7H3;10-11,13-16,22H,7-9,12H2,1-6H3;9-12,14-15,18H,4-8H2,1-3H3/t17-,18+,24?;15-,16+,22?;14-,15+/m111/s1
InChIKeyYUJGMTLAYUHTKW-JIGCKZQPSA-N
MW1311.66 g/mol
LogP14.85
Rot. Bonds15

About (3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2,3-dimethyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-2-methyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one

(3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2,3-dimethyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-2-methyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one (PubChem CID 162017986) has the molecular formula C75H95FN12O8 and a molecular weight of 1311.66 g/mol. Its IUPAC name is (3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2,3-dimethyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-2-methyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one.

Molecular Properties

Compound Name(3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2,3-dimethyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-2-methyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one
PubChem CID162017986
Molecular FormulaC75H95FN12O8
Molecular Weight1311.66 g/mol
Exact Mass1310.74
IUPAC Name(3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2,3-dimethyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-2-methyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one
SMILESC[C@@H](Oc1cc(-c2cnn(C3CC(C)(C)OC3(C)C)c2)cc2nn(C)c(F)c12)[C@H]1CCC(=O)C1.Cc1c2c(O[C@H](C)[C@H]3CCC(=O)C3)cc(-c3cnn(C4CC(C)(C)OC4(C)C)c3)cc2nn1C.Cc1c2c(O[C@H](C)[C@H]3CCC(=O)C3)cc(-c3cnn(C4CC4)c3)cc2nn1C
InChIInChI=1S/C27H36N4O3.C26H33FN4O3.C22H26N4O2/c1-16-25-22(29-30(16)7)11-19(12-23(25)33-17(2)18-8-9-21(32)10-18)20-14-28-31(15-20)24-13-26(3,4)34-27(24,5)6;1-15(16-7-8-19(32)9-16)33-21-11-17(10-20-23(21)24(27)30(6)29-20)18-13-28-31(14-18)22-12-25(2,3)34-26(22,4)5;1-13-22-20(24-25(13)3)9-16(17-11-23-26(12-17)18-5-6-18)10-21(22)28-14(2)15-4-7-19(27)8-15/h11-12,14-15,17-18,24H,8-10,13H2,1-7H3;10-11,13-16,22H,7-9,12H2,1-6H3;9-12,14-15,18H,4-8H2,1-3H3/t17-,18+,24?;15-,16+,22?;14-,15+/m111/s1
InChIKeyYUJGMTLAYUHTKW-JIGCKZQPSA-N
XLogP14.85
TPSA204.28 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001311.66
LogP ≤ 514.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze (3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2,3-dimethyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-2-methyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one with MolForge

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Launch Full Analysis

Related Compounds

US10155751, Example 14
CID 126681035
US10155751, Example 16
CID 126681037
(4R)-4-[1-[3-fluoro-2-methyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one
CID 139298409
4-[(1R)-1-[3-fluoro-2-methyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one
CID 139298410
4-[1-[3-Fluoro-2-methyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one
CID 139325016
(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-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one
CID 147424961
(3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one
CID 147711085
(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-(1-cyclobutylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one
CID 153170792
(3S)-3-[(1R)-1-[2-methyl-6-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one
CID 157464732

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2,3-dimethyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-2-methyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one?
The IUPAC name of (3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2,3-dimethyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-2-methyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one (CID 162017986) is (3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2,3-dimethyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-2-methyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one.
What is the SMILES notation for (3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2,3-dimethyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-2-methyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one?
The canonical SMILES for (3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2,3-dimethyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-2-methyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one is C[C@@H](Oc1cc(-c2cnn(C3CC(C)(C)OC3(C)C)c2)cc2nn(C)c(F)c12)[C@H]1CCC(=O)C1.Cc1c2c(O[C@H](C)[C@H]3CCC(=O)C3)cc(-c3cnn(C4CC(C)(C)OC4(C)C)c3)cc2nn1C.Cc1c2c(O[C@H](C)[C@H]3CCC(=O)C3)cc(-c3cnn(C4CC4)c3)cc2nn1C.
What is the InChIKey of (3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2,3-dimethyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-2-methyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one?
The InChIKey is YUJGMTLAYUHTKW-JIGCKZQPSA-N. The full InChI is InChI=1S/C27H36N4O3.C26H33FN4O3.C22H26N4O2/c1-16-25-22(29-30(16)7)11-19(12-23(25)33-17(2)18-8-9-21(32)10-18)20-14-28-31(15-20)24-13-26(3,4)34-27(24,5)6;1-15(16-7-8-19(32)9-16)33-21-11-17(10-20-23(21)24(27)30(6)29-20)18-13-28-31(14-18)22-12-25(2,3)34-26(22,4)5;1-13-22-20(24-25(13)3)9-16(17-11-23-26(12-17)18-5-6-18)10-21(22)28-14(2)15-4-7-19(27)8-15/h11-12,14-15,17-18,24H,8-10,13H2,1-7H3;10-11,13-16,22H,7-9,12H2,1-6H3;9-12,14-15,18H,4-8H2,1-3H3/t17-,18+,24?;15-,16+,22?;14-,15+/m111/s1.
What are the key properties of (3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2,3-dimethyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-2-methyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one?
(3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2,3-dimethyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-2-methyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one has a molecular weight of 1311.66 g/mol, XLogP of 14.85, 15 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2,3-dimethyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-2-methyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one is sourced from PubChem (CID 162017986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).