(4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one

C26H35N5O3 — CID 126681037

IUPAC(4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCc1c2c(O[C@H](C)[C@H]3CNC(=O)C3)cc(-c3cnn(C4CC(C)(C)OC4(C)C)c3)cc2nn1C
InChIInChI=1S/C26H35N5O3/c1-15-24-20(29-30(15)7)8-17(9-21(24)33-16(2)18-10-23(32)27-12-18)19-13-28-31(14-19)22-11-25(3,4)34-26(22,5)6/h8-9,13-14,16,18,22H,10-12H2,1-7H3,(H,27,32)/t16-,18-,22?/m1/s1
InChIKeyAEQMBFFFVYLEGX-DVLOMUPFSA-N
MW465.60 g/mol
LogP4.17
Rot. Bonds5

About (4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 126681037) has the molecular formula C26H35N5O3 and a molecular weight of 465.60 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID126681037
Molecular FormulaC26H35N5O3
Molecular Weight465.60 g/mol
Exact Mass465.27
IUPAC Name(4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCc1c2c(O[C@H](C)[C@H]3CNC(=O)C3)cc(-c3cnn(C4CC(C)(C)OC4(C)C)c3)cc2nn1C
InChIInChI=1S/C26H35N5O3/c1-15-24-20(29-30(15)7)8-17(9-21(24)33-16(2)18-10-23(32)27-12-18)19-13-28-31(14-19)22-11-25(3,4)34-26(22,5)6/h8-9,13-14,16,18,22H,10-12H2,1-7H3,(H,27,32)/t16-,18-,22?/m1/s1
InChIKeyAEQMBFFFVYLEGX-DVLOMUPFSA-N
XLogP4.17
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-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

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one (CID 126681037) is (4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one is Cc1c2c(O[C@H](C)[C@H]3CNC(=O)C3)cc(-c3cnn(C4CC(C)(C)OC4(C)C)c3)cc2nn1C.
What is the InChIKey of (4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is AEQMBFFFVYLEGX-DVLOMUPFSA-N. The full InChI is InChI=1S/C26H35N5O3/c1-15-24-20(29-30(15)7)8-17(9-21(24)33-16(2)18-10-23(32)27-12-18)19-13-28-31(14-19)22-11-25(3,4)34-26(22,5)6/h8-9,13-14,16,18,22H,10-12H2,1-7H3,(H,27,32)/t16-,18-,22?/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 465.60 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 126681037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).