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

C22H29N5O2 — CID 126681040

IUPAC(4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCc1c2c(O[C@H](C)[C@H]3CNC(=O)C3)cc(-c3cnn(CC(C)C)c3)cc2nn1C
InChIInChI=1S/C22H29N5O2/c1-13(2)11-27-12-18(10-24-27)16-6-19-22(14(3)26(5)25-19)20(7-16)29-15(4)17-8-21(28)23-9-17/h6-7,10,12-13,15,17H,8-9,11H2,1-5H3,(H,23,28)/t15-,17-/m1/s1
InChIKeyAOBWIAXEFZCCON-NVXWUHKLSA-N
MW395.51 g/mol
LogP3.30
Rot. Bonds6

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

(4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 126681040) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID126681040
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name(4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCc1c2c(O[C@H](C)[C@H]3CNC(=O)C3)cc(-c3cnn(CC(C)C)c3)cc2nn1C
InChIInChI=1S/C22H29N5O2/c1-13(2)11-27-12-18(10-24-27)16-6-19-22(14(3)26(5)25-19)20(7-16)29-15(4)17-8-21(28)23-9-17/h6-7,10,12-13,15,17H,8-9,11H2,1-5H3,(H,23,28)/t15-,17-/m1/s1
InChIKeyAOBWIAXEFZCCON-NVXWUHKLSA-N
XLogP3.30
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one (CID 126681040) is (4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)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-methylpropyl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one is Cc1c2c(O[C@H](C)[C@H]3CNC(=O)C3)cc(-c3cnn(CC(C)C)c3)cc2nn1C.
What is the InChIKey of (4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is AOBWIAXEFZCCON-NVXWUHKLSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-13(2)11-27-12-18(10-24-27)16-6-19-22(14(3)26(5)25-19)20(7-16)29-15(4)17-8-21(28)23-9-17/h6-7,10,12-13,15,17H,8-9,11H2,1-5H3,(H,23,28)/t15-,17-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 395.51 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 126681040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).