(4R)-4-[(1R)-1-[2-methyl-6-(1-methylindazol-5-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one

C22H23N5O2 — CID 118401363

IUPAC(4R)-4-[(1R)-1-[2-methyl-6-(1-methylindazol-5-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2ccc3c(cnn3C)c2)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C22H23N5O2/c1-13(16-9-22(28)23-10-16)29-21-8-15(7-19-18(21)12-26(2)25-19)14-4-5-20-17(6-14)11-24-27(20)3/h4-8,11-13,16H,9-10H2,1-3H3,(H,23,28)/t13-,16-/m1/s1
InChIKeyOGKSYZHWJLWHSS-CZUORRHYSA-N
MW389.46 g/mol
LogP3.03
Rot. Bonds4

About (4R)-4-[(1R)-1-[2-methyl-6-(1-methylindazol-5-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[2-methyl-6-(1-methylindazol-5-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 118401363) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[2-methyl-6-(1-methylindazol-5-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[2-methyl-6-(1-methylindazol-5-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID118401363
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name(4R)-4-[(1R)-1-[2-methyl-6-(1-methylindazol-5-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2ccc3c(cnn3C)c2)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C22H23N5O2/c1-13(16-9-22(28)23-10-16)29-21-8-15(7-19-18(21)12-26(2)25-19)14-4-5-20-17(6-14)11-24-27(20)3/h4-8,11-13,16H,9-10H2,1-3H3,(H,23,28)/t13-,16-/m1/s1
InChIKeyOGKSYZHWJLWHSS-CZUORRHYSA-N
XLogP3.03
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.03
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-methyl-6-(1-methylindazol-5-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[2-methyl-6-(1-methylindazol-5-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one (CID 118401363) is (4R)-4-[(1R)-1-[2-methyl-6-(1-methylindazol-5-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[2-methyl-6-(1-methylindazol-5-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[2-methyl-6-(1-methylindazol-5-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one is C[C@@H](Oc1cc(-c2ccc3c(cnn3C)c2)cc2nn(C)cc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[2-methyl-6-(1-methylindazol-5-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is OGKSYZHWJLWHSS-CZUORRHYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-13(16-9-22(28)23-10-16)29-21-8-15(7-19-18(21)12-26(2)25-19)14-4-5-20-17(6-14)11-24-27(20)3/h4-8,11-13,16H,9-10H2,1-3H3,(H,23,28)/t13-,16-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[2-methyl-6-(1-methylindazol-5-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[2-methyl-6-(1-methylindazol-5-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 389.46 g/mol, XLogP of 3.03, 4 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-methyl-6-(1-methylindazol-5-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 118401363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).