(3S)-3-[(1R)-1-[6-(1-cyclobutylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-6-[1-(3-fluoro-3-methylcyclopentyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one

C89H101F5N16O8 — CID 160844054

IUPAC(3S)-3-[(1R)-1-[6-(1-cyclobutylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-6-[1-(3-fluoro-3-methylcyclopentyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one
SMILESC[C@@H](Oc1cc(-c2cnn(C3CC3)c2)cc2nn(C)c(F)c12)[C@H]1CCC(=O)C1.C[C@@H](Oc1cc(-c2cnn(C3CCC(C)(F)C3)c2)cc2nn(C)c(F)c12)[C@H]1CCC(=O)C1.C[C@@H](Oc1cc(-c2cnn(C3CCC3)c2)cc2nn(C)c(F)c12)[C@H]1CCC(=O)C1.C[C@@H](Oc1cc(-c2cnn(CC3CC3)c2)cc2nn(C)c(F)c12)[C@H]1CCC(=O)C1
InChIInChI=1S/C24H28F2N4O2.2C22H25FN4O2.C21H23FN4O2/c1-14(15-4-5-19(31)8-15)32-21-10-16(9-20-22(21)23(25)29(3)28-20)17-12-27-30(13-17)18-6-7-24(2,26)11-18;1-13(15-5-6-18(28)7-15)29-20-9-16(8-19-21(20)22(23)26(2)25-19)17-10-24-27(12-17)11-14-3-4-14;1-13(14-6-7-18(28)8-14)29-20-10-15(9-19-21(20)22(23)26(2)25-19)16-11-24-27(12-16)17-4-3-5-17;1-12(13-3-6-17(27)7-13)28-19-9-14(8-18-20(19)21(22)25(2)24-18)15-10-23-26(11-15)16-4-5-16/h9-10,12-15,18H,4-8,11H2,1-3H3;8-10,12-15H,3-7,11H2,1-2H3;9-14,17H,3-8H2,1-2H3;8-13,16H,3-7H2,1-2H3/t14-,15+,18?,24?;13-,15+;13-,14+;12-,13+/m1111/s1
InChIKeySIKHOGJHOLSMBD-PTUQGSCWSA-N
MW1617.88 g/mol
LogP17.77
Rot. Bonds21

About (3S)-3-[(1R)-1-[6-(1-cyclobutylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-6-[1-(3-fluoro-3-methylcyclopentyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one

(3S)-3-[(1R)-1-[6-(1-cyclobutylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-6-[1-(3-fluoro-3-methylcyclopentyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one (PubChem CID 160844054) has the molecular formula C89H101F5N16O8 and a molecular weight of 1617.88 g/mol. Its IUPAC name is (3S)-3-[(1R)-1-[6-(1-cyclobutylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-6-[1-(3-fluoro-3-methylcyclopentyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one.

Molecular Properties

Compound Name(3S)-3-[(1R)-1-[6-(1-cyclobutylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-6-[1-(3-fluoro-3-methylcyclopentyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one
PubChem CID160844054
Molecular FormulaC89H101F5N16O8
Molecular Weight1617.88 g/mol
Exact Mass1616.79
IUPAC Name(3S)-3-[(1R)-1-[6-(1-cyclobutylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-6-[1-(3-fluoro-3-methylcyclopentyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one
SMILESC[C@@H](Oc1cc(-c2cnn(C3CC3)c2)cc2nn(C)c(F)c12)[C@H]1CCC(=O)C1.C[C@@H](Oc1cc(-c2cnn(C3CCC(C)(F)C3)c2)cc2nn(C)c(F)c12)[C@H]1CCC(=O)C1.C[C@@H](Oc1cc(-c2cnn(C3CCC3)c2)cc2nn(C)c(F)c12)[C@H]1CCC(=O)C1.C[C@@H](Oc1cc(-c2cnn(CC3CC3)c2)cc2nn(C)c(F)c12)[C@H]1CCC(=O)C1
InChIInChI=1S/C24H28F2N4O2.2C22H25FN4O2.C21H23FN4O2/c1-14(15-4-5-19(31)8-15)32-21-10-16(9-20-22(21)23(25)29(3)28-20)17-12-27-30(13-17)18-6-7-24(2,26)11-18;1-13(15-5-6-18(28)7-15)29-20-9-16(8-19-21(20)22(23)26(2)25-19)17-10-24-27(12-17)11-14-3-4-14;1-13(14-6-7-18(28)8-14)29-20-10-15(9-19-21(20)22(23)26(2)25-19)16-11-24-27(12-16)17-4-3-5-17;1-12(13-3-6-17(27)7-13)28-19-9-14(8-18-20(19)21(22)25(2)24-18)15-10-23-26(11-15)16-4-5-16/h9-10,12-15,18H,4-8,11H2,1-3H3;8-10,12-15H,3-7,11H2,1-2H3;9-14,17H,3-8H2,1-2H3;8-13,16H,3-7H2,1-2H3/t14-,15+,18?,24?;13-,15+;13-,14+;12-,13+/m1111/s1
InChIKeySIKHOGJHOLSMBD-PTUQGSCWSA-N
XLogP17.77
TPSA247.76 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds21
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001617.88
LogP ≤ 517.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze (3S)-3-[(1R)-1-[6-(1-cyclobutylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-6-[1-(3-fluoro-3-methylcyclopentyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one with MolForge

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Launch Full Analysis

Related Compounds

(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
(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-(1-tert-butylpyrazol-3-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(5-ethynyl-1H-indazol-3-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-methylpyrazol-3-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one
CID 158760942
(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-tert-butylpyrazol-4-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(3,3-difluorobutyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(5-ethynyl-1H-indazol-3-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-methylpyrazol-3-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one
CID 159729461

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1R)-1-[6-(1-cyclobutylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-6-[1-(3-fluoro-3-methylcyclopentyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one?
The IUPAC name of (3S)-3-[(1R)-1-[6-(1-cyclobutylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-6-[1-(3-fluoro-3-methylcyclopentyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one (CID 160844054) is (3S)-3-[(1R)-1-[6-(1-cyclobutylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-6-[1-(3-fluoro-3-methylcyclopentyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one.
What is the SMILES notation for (3S)-3-[(1R)-1-[6-(1-cyclobutylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-6-[1-(3-fluoro-3-methylcyclopentyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one?
The canonical SMILES for (3S)-3-[(1R)-1-[6-(1-cyclobutylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-6-[1-(3-fluoro-3-methylcyclopentyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one is C[C@@H](Oc1cc(-c2cnn(C3CC3)c2)cc2nn(C)c(F)c12)[C@H]1CCC(=O)C1.C[C@@H](Oc1cc(-c2cnn(C3CCC(C)(F)C3)c2)cc2nn(C)c(F)c12)[C@H]1CCC(=O)C1.C[C@@H](Oc1cc(-c2cnn(C3CCC3)c2)cc2nn(C)c(F)c12)[C@H]1CCC(=O)C1.C[C@@H](Oc1cc(-c2cnn(CC3CC3)c2)cc2nn(C)c(F)c12)[C@H]1CCC(=O)C1.
What is the InChIKey of (3S)-3-[(1R)-1-[6-(1-cyclobutylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-6-[1-(3-fluoro-3-methylcyclopentyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one?
The InChIKey is SIKHOGJHOLSMBD-PTUQGSCWSA-N. The full InChI is InChI=1S/C24H28F2N4O2.2C22H25FN4O2.C21H23FN4O2/c1-14(15-4-5-19(31)8-15)32-21-10-16(9-20-22(21)23(25)29(3)28-20)17-12-27-30(13-17)18-6-7-24(2,26)11-18;1-13(15-5-6-18(28)7-15)29-20-9-16(8-19-21(20)22(23)26(2)25-19)17-10-24-27(12-17)11-14-3-4-14;1-13(14-6-7-18(28)8-14)29-20-10-15(9-19-21(20)22(23)26(2)25-19)16-11-24-27(12-16)17-4-3-5-17;1-12(13-3-6-17(27)7-13)28-19-9-14(8-18-20(19)21(22)25(2)24-18)15-10-23-26(11-15)16-4-5-16/h9-10,12-15,18H,4-8,11H2,1-3H3;8-10,12-15H,3-7,11H2,1-2H3;9-14,17H,3-8H2,1-2H3;8-13,16H,3-7H2,1-2H3/t14-,15+,18?,24?;13-,15+;13-,14+;12-,13+/m1111/s1.
What are the key properties of (3S)-3-[(1R)-1-[6-(1-cyclobutylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-6-[1-(3-fluoro-3-methylcyclopentyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one?
(3S)-3-[(1R)-1-[6-(1-cyclobutylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-6-[1-(3-fluoro-3-methylcyclopentyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one has a molecular weight of 1617.88 g/mol, XLogP of 17.77, 21 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1R)-1-[6-(1-cyclobutylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-6-[1-(3-fluoro-3-methylcyclopentyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one is sourced from PubChem (CID 160844054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).