(3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one

C22H26N4O2 — CID 149156233

IUPAC(3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one
SMILESCc1c2c(O[C@H](C)[C@H]3CCC(=O)C3)cc(-c3cnn(C4CC4)c3)cc2nn1C
InChIInChI=1S/C22H26N4O2/c1-13-22-20(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/h9-12,14-15,18H,4-8H2,1-3H3/t14-,15+/m1/s1
InChIKeyRQDUBLGYDSDOFZ-CABCVRRESA-N
MW378.48 g/mol
LogP4.22
Rot. Bonds5

About (3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one

(3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one (PubChem CID 149156233) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is (3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-2,3-dimethylindazol-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
PubChem CID149156233
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name(3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one
SMILESCc1c2c(O[C@H](C)[C@H]3CCC(=O)C3)cc(-c3cnn(C4CC4)c3)cc2nn1C
InChIInChI=1S/C22H26N4O2/c1-13-22-20(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/h9-12,14-15,18H,4-8H2,1-3H3/t14-,15+/m1/s1
InChIKeyRQDUBLGYDSDOFZ-CABCVRRESA-N
XLogP4.22
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one with MolForge

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Related Compounds

3-[(1R)-1-[7-(1-cyclobutylpyrazol-4-yl)-2-ethyl-4-fluoroquinolin-5-yl]oxyethyl]cyclohexan-1-one
CID 163440244
(4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one
CID 126681022
4-[1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one
CID 139324909
(4R)-4-[(1R)-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one
CID 126681033
(4R)-4-[1-[6-[1-[(3S,3aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one
CID 139324963
(3S)-3-[(1R)-1-[6-(1,3-dimethylindazol-5-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one
CID 158833435
(3S)-3-[(1R)-1-[6-(5-tert-butyl-1H-pyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(5R)-5-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]oxolan-3-one;(3S)-3-[(1R)-1-[3-fluoro-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one
CID 160566320
(3S)-3-[(1R)-1-[6-(5-tert-butyl-1H-pyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(5S)-5-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]oxolan-3-one;(3S)-3-[(1R)-1-[3-fluoro-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one
CID 160566322
4-[(1R)-1-[[2-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]-1,3-benzothiazol-7-yl]oxy]ethyl]pyrrolidin-2-one
CID 139319479
4-[(1R)-1-[3-fluoro-2-methyl-6-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one
CID 126664270
(3S)-3-[(1R)-1-[6-[1-(4-fluoro-4-methylcyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-[4-(4-methyl-3-methylidenepiperazin-1-yl)cyclohexyl]pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3R)-3-[(1R)-1-[2-methyl-6-[2-methyl-4-[(1R)-1-[(1S)-3-oxocyclopentyl]ethoxy]pyrazolo[4,3-c]pyridin-6-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one
CID 157497974
(3S)-3-[(1R)-1-[2-methyl-6-(3H-pyrrol-5-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one
CID 161401725

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?
The IUPAC name of (3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one (CID 149156233) is (3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-2,3-dimethylindazol-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?
The canonical SMILES for (3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one is 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?
The InChIKey is RQDUBLGYDSDOFZ-CABCVRRESA-N. The full InChI is InChI=1S/C22H26N4O2/c1-13-22-20(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/h9-12,14-15,18H,4-8H2,1-3H3/t14-,15+/m1/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-[6-(1-cyclopropylpyrazol-4-yl)-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one has a molecular weight of 378.48 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 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 is sourced from PubChem (CID 149156233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).