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

C22H23N5O2 — CID 123837301

IUPAC4-[1-[2-methyl-6-(1-methylindazol-5-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCC(Oc1cc(-c2ccc3c(cnn3C)c2)cc2nn(C)cc12)C1CNC(=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)
InChIKeyOGKSYZHWJLWHSS-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.03
Rot. Bonds4

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

4-[1-[2-methyl-6-(1-methylindazol-5-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 123837301) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-[1-[2-methyl-6-(1-methylindazol-5-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[2-methyl-6-(1-methylindazol-5-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID123837301
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name4-[1-[2-methyl-6-(1-methylindazol-5-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCC(Oc1cc(-c2ccc3c(cnn3C)c2)cc2nn(C)cc12)C1CNC(=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)
InChIKeyOGKSYZHWJLWHSS-UHFFFAOYSA-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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Related Compounds

(4R)-4-((1R)-1-(6-(1-tert-butylpyrazol-4-yl)-2-methyl-pyrazolo(4,3-c)pyridin-4-yl)oxyethyl)pyrrolidin-2-one
CID 118386410
(4R)-4-[(1R)-1-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71238417
2-[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyrazol-1-yl]ethyl acetate
CID 71238651
(4R)-4-[(1R)-1-[7-(1-methylindazol-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241911
(4R)-4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241918
(4R)-4-[(1R)-1-[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241980
(4R)-4-[(1R)-1-[7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241988
(4R)-4-[(1R)-1-[7-(1-propylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241989
US9914735, Example 41
CID 118401365
US9914735, Example 35
CID 118401370
US10155751, Example 1
CID 126664227
(4R)-4-[(1R)-1-[[6-(1-methylpyrazol-4-yl)-2,1-benzothiazol-4-yl]oxy]ethyl]pyrrolidin-2-one
CID 122191642

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-methyl-6-(1-methylindazol-5-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of 4-[1-[2-methyl-6-(1-methylindazol-5-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one (CID 123837301) is 4-[1-[2-methyl-6-(1-methylindazol-5-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[1-[2-methyl-6-(1-methylindazol-5-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[1-[2-methyl-6-(1-methylindazol-5-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one is CC(Oc1cc(-c2ccc3c(cnn3C)c2)cc2nn(C)cc12)C1CNC(=O)C1.
What is the InChIKey of 4-[1-[2-methyl-6-(1-methylindazol-5-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is OGKSYZHWJLWHSS-UHFFFAOYSA-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).
What are the key properties of 4-[1-[2-methyl-6-(1-methylindazol-5-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one?
4-[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 4-[1-[2-methyl-6-(1-methylindazol-5-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 123837301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).