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

C21H24N6O2 — CID 46183280

IUPAC3,3-dimethyl-6-[[5-(oxan-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2cc(Nc3nc4cccc(NC5CCOCC5)n4n3)ccc21
InChIInChI=1S/C21H24N6O2/c1-21(2)15-7-6-14(12-16(15)24-19(21)28)23-20-25-18-5-3-4-17(27(18)26-20)22-13-8-10-29-11-9-13/h3-7,12-13,22H,8-11H2,1-2H3,(H,23,26)(H,24,28)
InChIKeyWWHOQDNYENLWDN-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.29
Rot. Bonds4

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

3,3-dimethyl-6-[[5-(oxan-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one (PubChem CID 46183280) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3,3-dimethyl-6-[[5-(oxan-4-ylamino)-[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-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one
PubChem CID46183280
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name3,3-dimethyl-6-[[5-(oxan-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2cc(Nc3nc4cccc(NC5CCOCC5)n4n3)ccc21
InChIInChI=1S/C21H24N6O2/c1-21(2)15-7-6-14(12-16(15)24-19(21)28)23-20-25-18-5-3-4-17(27(18)26-20)22-13-8-10-29-11-9-13/h3-7,12-13,22H,8-11H2,1-2H3,(H,23,26)(H,24,28)
InChIKeyWWHOQDNYENLWDN-UHFFFAOYSA-N
XLogP3.29
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3,3-dimethyl-6-[[5-(oxan-4-ylamino)-[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-ylamino)-[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-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one (CID 46183280) is 3,3-dimethyl-6-[[5-(oxan-4-ylamino)-[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-ylamino)-[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-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one is CC1(C)C(=O)Nc2cc(Nc3nc4cccc(NC5CCOCC5)n4n3)ccc21.
What is the InChIKey of 3,3-dimethyl-6-[[5-(oxan-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one?
The InChIKey is WWHOQDNYENLWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-21(2)15-7-6-14(12-16(15)24-19(21)28)23-20-25-18-5-3-4-17(27(18)26-20)22-13-8-10-29-11-9-13/h3-7,12-13,22H,8-11H2,1-2H3,(H,23,26)(H,24,28).
What are the key properties of 3,3-dimethyl-6-[[5-(oxan-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one?
3,3-dimethyl-6-[[5-(oxan-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one has a molecular weight of 392.46 g/mol, XLogP of 3.29, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-[[5-(oxan-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one is sourced from PubChem (CID 46183280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).