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

C22H27N5O2 — CID 139324909

IUPAC4-[1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCc1c2c(OC(C)C3CNC(=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)
InChIKeyGYLRKPOBNLGNSW-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.06
Rot. Bonds6

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

4-[1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 139324909) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 4-[1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID139324909
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name4-[1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCc1c2c(OC(C)C3CNC(=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)
InChIKeyGYLRKPOBNLGNSW-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of 4-[1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one (CID 139324909) is 4-[1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one is Cc1c2c(OC(C)C3CNC(=O)C3)cc(-c3cnn(CC4CC4)c3)cc2nn1C.
What is the InChIKey of 4-[1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is GYLRKPOBNLGNSW-UHFFFAOYSA-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).
What are the key properties of 4-[1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one?
4-[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 4-[1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 139324909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).