3,3-dimethyl-6-[[5-[(3R)-oxolan-3-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one

C20H21N5O3 — CID 46185745

About 3,3-dimethyl-6-[[5-[(3R)-oxolan-3-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one

3,3-dimethyl-6-[[5-[(3R)-oxolan-3-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one (PubChem CID 46185745) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 3,3-dimethyl-6-[[5-[(3R)-oxolan-3-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one.

Molecular Properties

• Compound Name: 3,3-dimethyl-6-[[5-[(3R)-oxolan-3-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one
• PubChem CID: 46185745
• Molecular Formula: C20H21N5O3
• Molecular Weight: 379.42 g/mol
• Exact Mass: 379.16
• IUPAC Name: 3,3-dimethyl-6-[[5-[(3R)-oxolan-3-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one
• SMILES: CC1(C)C(=O)Nc2cc(Nc3nc4cccc(O[C@@H]5CCOC5)n4n3)ccc21
• InChI: InChI=1S/C20H21N5O3/c1-20(2)14-7-6-12(10-15(14)22-18(20)26)21-19-23-16-4-3-5-17(25(16)24-19)28-13-8-9-27-11-13/h3-7,10,13H,8-9,11H2,1-2H3,(H,21,24)(H,22,26)/t13-/m1/s1
• InChIKey: WKUIMUGASZMZLO-CYBMUJFWSA-N
• XLogP: 2.87
• TPSA: 89.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.42
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-[[5-[(3R)-oxolan-3-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one?

The IUPAC name of 3,3-dimethyl-6-[[5-[(3R)-oxolan-3-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one (CID 46185745) is 3,3-dimethyl-6-[[5-[(3R)-oxolan-3-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one.

What is the SMILES notation for 3,3-dimethyl-6-[[5-[(3R)-oxolan-3-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one?

The canonical SMILES for 3,3-dimethyl-6-[[5-[(3R)-oxolan-3-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one is CC1(C)C(=O)Nc2cc(Nc3nc4cccc(O[C@@H]5CCOC5)n4n3)ccc21.

What is the InChIKey of 3,3-dimethyl-6-[[5-[(3R)-oxolan-3-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one?

The InChIKey is WKUIMUGASZMZLO-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-20(2)14-7-6-12(10-15(14)22-18(20)26)21-19-23-16-4-3-5-17(25(16)24-19)28-13-8-9-27-11-13/h3-7,10,13H,8-9,11H2,1-2H3,(H,21,24)(H,22,26)/t13-/m1/s1.

What are the key properties of 3,3-dimethyl-6-[[5-[(3R)-oxolan-3-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one?

3,3-dimethyl-6-[[5-[(3R)-oxolan-3-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one has a molecular weight of 379.42 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-dimethyl-6-[[5-[(3R)-oxolan-3-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one is sourced from PubChem (CID 46185745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).