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

C19H19FN4O2 — CID 118401365

IUPAC(4R)-4-[(1R)-1-[6-(5-fluoro-2-pyridinyl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2ccc(F)cn2)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C19H19FN4O2/c1-11(13-7-19(25)22-8-13)26-18-6-12(16-4-3-14(20)9-21-16)5-17-15(18)10-24(2)23-17/h3-6,9-11,13H,7-8H2,1-2H3,(H,22,25)/t11-,13-/m1/s1
InChIKeyAJHBYQLGRIOMIW-DGCLKSJQSA-N
MW354.39 g/mol
LogP2.68
Rot. Bonds4

About (4R)-4-[(1R)-1-[6-(5-fluoro-2-pyridinyl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[6-(5-fluoro-2-pyridinyl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 118401365) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[6-(5-fluoro-2-pyridinyl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[6-(5-fluoro-2-pyridinyl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID118401365
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name(4R)-4-[(1R)-1-[6-(5-fluoro-2-pyridinyl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2ccc(F)cn2)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C19H19FN4O2/c1-11(13-7-19(25)22-8-13)26-18-6-12(16-4-3-14(20)9-21-16)5-17-15(18)10-24(2)23-17/h3-6,9-11,13H,7-8H2,1-2H3,(H,22,25)/t11-,13-/m1/s1
InChIKeyAJHBYQLGRIOMIW-DGCLKSJQSA-N
XLogP2.68
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[6-(5-fluoro-2-pyridinyl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[6-(5-fluoro-2-pyridinyl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one (CID 118401365) is (4R)-4-[(1R)-1-[6-(5-fluoro-2-pyridinyl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[6-(5-fluoro-2-pyridinyl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[6-(5-fluoro-2-pyridinyl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one is C[C@@H](Oc1cc(-c2ccc(F)cn2)cc2nn(C)cc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[6-(5-fluoro-2-pyridinyl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is AJHBYQLGRIOMIW-DGCLKSJQSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-11(13-7-19(25)22-8-13)26-18-6-12(16-4-3-14(20)9-21-16)5-17-15(18)10-24(2)23-17/h3-6,9-11,13H,7-8H2,1-2H3,(H,22,25)/t11-,13-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[6-(5-fluoro-2-pyridinyl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[6-(5-fluoro-2-pyridinyl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 354.39 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[6-(5-fluoro-2-pyridinyl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 118401365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).