(3S)-3-[(1R)-1-[6-(5-fluoro-2-pyridinyl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one

C20H20FN3O2 — CID 147489537

IUPAC(3S)-3-[(1R)-1-[6-(5-fluoro-2-pyridinyl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one
SMILESC[C@@H](Oc1cc(-c2ccc(F)cn2)cc2nn(C)cc12)[C@H]1CCC(=O)C1
InChIInChI=1S/C20H20FN3O2/c1-12(13-3-5-16(25)7-13)26-20-9-14(18-6-4-15(21)10-22-18)8-19-17(20)11-24(2)23-19/h4,6,8-13H,3,5,7H2,1-2H3/t12-,13+/m1/s1
InChIKeyFFFYHSJHWLKOJU-OLZOCXBDSA-N
MW353.40 g/mol
LogP3.91
Rot. Bonds4

About (3S)-3-[(1R)-1-[6-(5-fluoro-2-pyridinyl)-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 (PubChem CID 147489537) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is (3S)-3-[(1R)-1-[6-(5-fluoro-2-pyridinyl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one.

Molecular Properties

Compound Name(3S)-3-[(1R)-1-[6-(5-fluoro-2-pyridinyl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one
PubChem CID147489537
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name(3S)-3-[(1R)-1-[6-(5-fluoro-2-pyridinyl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one
SMILESC[C@@H](Oc1cc(-c2ccc(F)cn2)cc2nn(C)cc12)[C@H]1CCC(=O)C1
InChIInChI=1S/C20H20FN3O2/c1-12(13-3-5-16(25)7-13)26-20-9-14(18-6-4-15(21)10-22-18)8-19-17(20)11-24(2)23-19/h4,6,8-13H,3,5,7H2,1-2H3/t12-,13+/m1/s1
InChIKeyFFFYHSJHWLKOJU-OLZOCXBDSA-N
XLogP3.91
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S)-3-[(1R)-1-[6-(5-fluoro-2-pyridinyl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one with MolForge

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Related Compounds

(4R)-4-[(1R)-1-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71238417
(4R)-4-[(1R)-1-[7-(1-methylindazol-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241911
(4R)-4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241918
(4R)-4-[(1R)-1-[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241980
(4R)-4-[(1R)-1-[7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241988
(4R)-4-[(1R)-1-[7-(1-propylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241989
US9914735, Example 41
CID 118401365
(4R)-4-[(1R)-1-[7-[1-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241957
(4R)-4-[(1R)-1-[7-(1,5-dimethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241984
(4R)-4-[(1R)-1-[7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241987
US10155751, Example 11
CID 126664229
US10155751, Example 2
CID 126681027

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1R)-1-[6-(5-fluoro-2-pyridinyl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one?
The IUPAC name of (3S)-3-[(1R)-1-[6-(5-fluoro-2-pyridinyl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one (CID 147489537) is (3S)-3-[(1R)-1-[6-(5-fluoro-2-pyridinyl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one.
What is the SMILES notation for (3S)-3-[(1R)-1-[6-(5-fluoro-2-pyridinyl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one?
The canonical SMILES for (3S)-3-[(1R)-1-[6-(5-fluoro-2-pyridinyl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one is C[C@@H](Oc1cc(-c2ccc(F)cn2)cc2nn(C)cc12)[C@H]1CCC(=O)C1.
What is the InChIKey of (3S)-3-[(1R)-1-[6-(5-fluoro-2-pyridinyl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one?
The InChIKey is FFFYHSJHWLKOJU-OLZOCXBDSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-12(13-3-5-16(25)7-13)26-20-9-14(18-6-4-15(21)10-22-18)8-19-17(20)11-24(2)23-19/h4,6,8-13H,3,5,7H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of (3S)-3-[(1R)-1-[6-(5-fluoro-2-pyridinyl)-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 has a molecular weight of 353.40 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1R)-1-[6-(5-fluoro-2-pyridinyl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one is sourced from PubChem (CID 147489537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).