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

C₂₂H₂₇N₅O₂ — CID 126681033

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 CID: 126681033
• Molecular Formula: C₂₂H₂₇N₅O₂
• Molecular Weight: 393.49 g/mol
• Exact Mass: 393.22
• IUPAC Name: (4R)-4-[(1R)-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one
• SMILES: Cc1c2c(O[C@H](C)[C@H]3CNC(=O)C3)cc(-c3cnn(CC4CC4)c3)cc2nn1C
• InChI: 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
• InChIKey: GYLRKPOBNLGNSW-RHSMWYFYSA-N
• XLogP: 3.06
• TPSA: 73.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.49
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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).

Sources

• PubChem CID 126681033 — identifiers, structure, computed properties (public domain)

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