(4R)-4-[(1R)-1-[6-[1-[(4R)-2,2-dimethyloxan-4-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one

C25H33N5O3 — CID 126664266

IUPAC(4R)-4-[(1R)-1-[6-[1-[(4R)-2,2-dimethyloxan-4-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCc1c2c(O[C@H](C)[C@H]3CNC(=O)C3)cc(-c3cnn([C@@H]4CCOC(C)(C)C4)c3)cc2nn1C
InChIInChI=1S/C25H33N5O3/c1-15-24-21(28-29(15)5)8-17(9-22(24)33-16(2)18-10-23(31)26-12-18)19-13-27-30(14-19)20-6-7-32-25(3,4)11-20/h8-9,13-14,16,18,20H,6-7,10-12H2,1-5H3,(H,26,31)/t16-,18-,20-/m1/s1
InChIKeyJEYRAAKRIMXPRJ-YVWKXTFCSA-N
MW451.57 g/mol
LogP3.78
Rot. Bonds5

About (4R)-4-[(1R)-1-[6-[1-[(4R)-2,2-dimethyloxan-4-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[6-[1-[(4R)-2,2-dimethyloxan-4-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 126664266) has the molecular formula C25H33N5O3 and a molecular weight of 451.57 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[6-[1-[(4R)-2,2-dimethyloxan-4-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[6-[1-[(4R)-2,2-dimethyloxan-4-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID126664266
Molecular FormulaC25H33N5O3
Molecular Weight451.57 g/mol
Exact Mass451.26
IUPAC Name(4R)-4-[(1R)-1-[6-[1-[(4R)-2,2-dimethyloxan-4-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCc1c2c(O[C@H](C)[C@H]3CNC(=O)C3)cc(-c3cnn([C@@H]4CCOC(C)(C)C4)c3)cc2nn1C
InChIInChI=1S/C25H33N5O3/c1-15-24-21(28-29(15)5)8-17(9-22(24)33-16(2)18-10-23(31)26-12-18)19-13-27-30(14-19)20-6-7-32-25(3,4)11-20/h8-9,13-14,16,18,20H,6-7,10-12H2,1-5H3,(H,26,31)/t16-,18-,20-/m1/s1
InChIKeyJEYRAAKRIMXPRJ-YVWKXTFCSA-N
XLogP3.78
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4R)-4-[(1R)-1-[6-[1-[(4R)-2,2-dimethyloxan-4-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[6-[1-[(4R)-2,2-dimethyloxan-4-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[6-[1-[(4R)-2,2-dimethyloxan-4-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one (CID 126664266) is (4R)-4-[(1R)-1-[6-[1-[(4R)-2,2-dimethyloxan-4-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[6-[1-[(4R)-2,2-dimethyloxan-4-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[6-[1-[(4R)-2,2-dimethyloxan-4-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one is Cc1c2c(O[C@H](C)[C@H]3CNC(=O)C3)cc(-c3cnn([C@@H]4CCOC(C)(C)C4)c3)cc2nn1C.
What is the InChIKey of (4R)-4-[(1R)-1-[6-[1-[(4R)-2,2-dimethyloxan-4-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is JEYRAAKRIMXPRJ-YVWKXTFCSA-N. The full InChI is InChI=1S/C25H33N5O3/c1-15-24-21(28-29(15)5)8-17(9-22(24)33-16(2)18-10-23(31)26-12-18)19-13-27-30(14-19)20-6-7-32-25(3,4)11-20/h8-9,13-14,16,18,20H,6-7,10-12H2,1-5H3,(H,26,31)/t16-,18-,20-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[6-[1-[(4R)-2,2-dimethyloxan-4-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[6-[1-[(4R)-2,2-dimethyloxan-4-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 451.57 g/mol, XLogP of 3.78, 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-[6-[1-[(4R)-2,2-dimethyloxan-4-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 126664266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).