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

C22H27N5O2 — CID 126681033

IUPAC(4R)-4-[(1R)-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCc1c2c(O[C@H](C)[C@H]3CNC(=O)C3)cc(-c3cnn(CC4CC4)c3)cc2nn1C
InChIInChI=1S/C22H27N5O2/c1-13-22-19(25-26(13)3)6-16(18-10-24-27(12-18)11-15-4-5-15)7-20(22)29-14(2)17-8-21(28)23-9-17/h6-7,10,12,14-15,17H,4-5,8-9,11H2,1-3H3,(H,23,28)/t14-,17-/m1/s1
InChIKeyGYLRKPOBNLGNSW-RHSMWYFYSA-N
MW393.49 g/mol
LogP3.06
Rot. Bonds6

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

(4R)-4-[(1R)-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 126681033) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID126681033
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name(4R)-4-[(1R)-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCc1c2c(O[C@H](C)[C@H]3CNC(=O)C3)cc(-c3cnn(CC4CC4)c3)cc2nn1C
InChIInChI=1S/C22H27N5O2/c1-13-22-19(25-26(13)3)6-16(18-10-24-27(12-18)11-15-4-5-15)7-20(22)29-14(2)17-8-21(28)23-9-17/h6-7,10,12,14-15,17H,4-5,8-9,11H2,1-3H3,(H,23,28)/t14-,17-/m1/s1
InChIKeyGYLRKPOBNLGNSW-RHSMWYFYSA-N
XLogP3.06
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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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
(5r)-5-[(1r)-1-{[6-(1-Methyl-1h-Pyrazol-4-Yl)-2,1-Benzothiazol-4-Yl]oxy}ethyl]-1,3-Oxazolidin-2-One
CID 91885527
(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
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(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

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one (CID 126681033) is (4R)-4-[(1R)-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[6-[1-(cyclopropylmethyl)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(CC4CC4)c3)cc2nn1C.
What is the InChIKey of (4R)-4-[(1R)-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is GYLRKPOBNLGNSW-RHSMWYFYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-13-22-19(25-26(13)3)6-16(18-10-24-27(12-18)11-15-4-5-15)7-20(22)29-14(2)17-8-21(28)23-9-17/h6-7,10,12,14-15,17H,4-5,8-9,11H2,1-3H3,(H,23,28)/t14-,17-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 393.49 g/mol, XLogP of 3.06, 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-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 126681033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).