(4R)-4-[(1R)-1-[3-fluoro-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one

C20H24FN5O2 — CID 126681027

IUPAC(4R)-4-[(1R)-1-[3-fluoro-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCC(C)n1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3c(F)n(C)nc3c2)cn1
InChIInChI=1S/C20H24FN5O2/c1-11(2)26-10-15(9-23-26)13-5-16-19(20(21)25(4)24-16)17(6-13)28-12(3)14-7-18(27)22-8-14/h5-6,9-12,14H,7-8H2,1-4H3,(H,22,27)/t12-,14-/m1/s1
InChIKeyOBCJQADLEPVKSL-TZMCWYRMSA-N
MW385.44 g/mol
LogP3.06
Rot. Bonds5

About (4R)-4-[(1R)-1-[3-fluoro-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[3-fluoro-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 126681027) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[3-fluoro-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[3-fluoro-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID126681027
Molecular FormulaC20H24FN5O2
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC Name(4R)-4-[(1R)-1-[3-fluoro-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCC(C)n1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3c(F)n(C)nc3c2)cn1
InChIInChI=1S/C20H24FN5O2/c1-11(2)26-10-15(9-23-26)13-5-16-19(20(21)25(4)24-16)17(6-13)28-12(3)14-7-18(27)22-8-14/h5-6,9-12,14H,7-8H2,1-4H3,(H,22,27)/t12-,14-/m1/s1
InChIKeyOBCJQADLEPVKSL-TZMCWYRMSA-N
XLogP3.06
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R)-4-[(1R)-1-[3-fluoro-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-4-((1R)-1-(6-(1-tert-butylpyrazol-4-yl)-2-methyl-pyrazolo(4,3-c)pyridin-4-yl)oxyethyl)pyrrolidin-2-one
CID 118386410
(5r)-5-[(1r)-1-{[6-(1-Methyl-1h-Pyrazol-4-Yl)-2,1-Benzothiazol-4-Yl]oxy}ethyl]-1,3-Oxazolidin-2-One
CID 91885527
(4R)-4-[(1R)-1-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71238417
2-[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyrazol-1-yl]ethyl acetate
CID 71238651
(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 10
CID 118386426
US9914735, Example 41
CID 118401365
US9914735, Example 35
CID 118401370

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[3-fluoro-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[3-fluoro-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one (CID 126681027) is (4R)-4-[(1R)-1-[3-fluoro-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[3-fluoro-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[3-fluoro-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one is CC(C)n1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3c(F)n(C)nc3c2)cn1.
What is the InChIKey of (4R)-4-[(1R)-1-[3-fluoro-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is OBCJQADLEPVKSL-TZMCWYRMSA-N. The full InChI is InChI=1S/C20H24FN5O2/c1-11(2)26-10-15(9-23-26)13-5-16-19(20(21)25(4)24-16)17(6-13)28-12(3)14-7-18(27)22-8-14/h5-6,9-12,14H,7-8H2,1-4H3,(H,22,27)/t12-,14-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[3-fluoro-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[3-fluoro-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 385.44 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[3-fluoro-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 126681027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).