(4R)-4-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one

C20H22FN5O2 — CID 126681030

IUPAC(4R)-4-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2cnn(C3CC3)c2)cc2nn(C)c(F)c12)[C@H]1CNC(=O)C1
InChIInChI=1S/C20H22FN5O2/c1-11(13-7-18(27)22-8-13)28-17-6-12(5-16-19(17)20(21)25(2)24-16)14-9-23-26(10-14)15-3-4-15/h5-6,9-11,13,15H,3-4,7-8H2,1-2H3,(H,22,27)/t11-,13-/m1/s1
InChIKeyMNANZWUABJNAQM-DGCLKSJQSA-N
MW383.43 g/mol
LogP2.81
Rot. Bonds5

About (4R)-4-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 126681030) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID126681030
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Name(4R)-4-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2cnn(C3CC3)c2)cc2nn(C)c(F)c12)[C@H]1CNC(=O)C1
InChIInChI=1S/C20H22FN5O2/c1-11(13-7-18(27)22-8-13)28-17-6-12(5-16-19(17)20(21)25(2)24-16)14-9-23-26(10-14)15-3-4-15/h5-6,9-11,13,15H,3-4,7-8H2,1-2H3,(H,22,27)/t11-,13-/m1/s1
InChIKeyMNANZWUABJNAQM-DGCLKSJQSA-N
XLogP2.81
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R)-4-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-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

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one (CID 126681030) is (4R)-4-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one is C[C@@H](Oc1cc(-c2cnn(C3CC3)c2)cc2nn(C)c(F)c12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is MNANZWUABJNAQM-DGCLKSJQSA-N. The full InChI is InChI=1S/C20H22FN5O2/c1-11(13-7-18(27)22-8-13)28-17-6-12(5-16-19(17)20(21)25(2)24-16)14-9-23-26(10-14)15-3-4-15/h5-6,9-11,13,15H,3-4,7-8H2,1-2H3,(H,22,27)/t11-,13-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 383.43 g/mol, XLogP of 2.81, 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-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 126681030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).