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

C22H25N5O2 — CID 46183049

IUPAC3,3-dimethyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2cc(Nc3nc4cccc(CC5CCOCC5)n4n3)ccc21
InChIInChI=1S/C22H25N5O2/c1-22(2)17-7-6-15(13-18(17)24-20(22)28)23-21-25-19-5-3-4-16(27(19)26-21)12-14-8-10-29-11-9-14/h3-7,13-14H,8-12H2,1-2H3,(H,23,26)(H,24,28)
InChIKeySXYJPMOVHRSZJL-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.67
Rot. Bonds4

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

3,3-dimethyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one (PubChem CID 46183049) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 3,3-dimethyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one.

Molecular Properties

Compound Name3,3-dimethyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one
PubChem CID46183049
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name3,3-dimethyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2cc(Nc3nc4cccc(CC5CCOCC5)n4n3)ccc21
InChIInChI=1S/C22H25N5O2/c1-22(2)17-7-6-15(13-18(17)24-20(22)28)23-21-25-19-5-3-4-16(27(19)26-21)12-14-8-10-29-11-9-14/h3-7,13-14H,8-12H2,1-2H3,(H,23,26)(H,24,28)
InChIKeySXYJPMOVHRSZJL-UHFFFAOYSA-N
XLogP3.67
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3,3-dimethyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one?
The IUPAC name of 3,3-dimethyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one (CID 46183049) is 3,3-dimethyl-6-[[5-(oxan-4-ylmethyl)-[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-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one?
The canonical SMILES for 3,3-dimethyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one is CC1(C)C(=O)Nc2cc(Nc3nc4cccc(CC5CCOCC5)n4n3)ccc21.
What is the InChIKey of 3,3-dimethyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one?
The InChIKey is SXYJPMOVHRSZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-22(2)17-7-6-15(13-18(17)24-20(22)28)23-21-25-19-5-3-4-16(27(19)26-21)12-14-8-10-29-11-9-14/h3-7,13-14H,8-12H2,1-2H3,(H,23,26)(H,24,28).
What are the key properties of 3,3-dimethyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one?
3,3-dimethyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one has a molecular weight of 391.48 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one is sourced from PubChem (CID 46183049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).