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

C23H27N5O2 — CID 46186007

IUPAC1,3,3-trimethyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one
SMILESCN1C(=O)C(C)(C)c2ccc(Nc3nc4cccc(CC5CCOCC5)n4n3)cc21
InChIInChI=1S/C23H27N5O2/c1-23(2)18-8-7-16(14-19(18)27(3)21(23)29)24-22-25-20-6-4-5-17(28(20)26-22)13-15-9-11-30-12-10-15/h4-8,14-15H,9-13H2,1-3H3,(H,24,26)
InChIKeyUWVPJRDEVLWWHX-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.70
Rot. Bonds4

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

1,3,3-trimethyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one (PubChem CID 46186007) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1,3,3-trimethyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one.

Molecular Properties

Compound Name1,3,3-trimethyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one
PubChem CID46186007
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name1,3,3-trimethyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one
SMILESCN1C(=O)C(C)(C)c2ccc(Nc3nc4cccc(CC5CCOCC5)n4n3)cc21
InChIInChI=1S/C23H27N5O2/c1-23(2)18-8-7-16(14-19(18)27(3)21(23)29)24-22-25-20-6-4-5-17(28(20)26-22)13-15-9-11-30-12-10-15/h4-8,14-15H,9-13H2,1-3H3,(H,24,26)
InChIKeyUWVPJRDEVLWWHX-UHFFFAOYSA-N
XLogP3.70
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one?
The IUPAC name of 1,3,3-trimethyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one (CID 46186007) is 1,3,3-trimethyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one.
What is the SMILES notation for 1,3,3-trimethyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one?
The canonical SMILES for 1,3,3-trimethyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one is CN1C(=O)C(C)(C)c2ccc(Nc3nc4cccc(CC5CCOCC5)n4n3)cc21.
What is the InChIKey of 1,3,3-trimethyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one?
The InChIKey is UWVPJRDEVLWWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-23(2)18-8-7-16(14-19(18)27(3)21(23)29)24-22-25-20-6-4-5-17(28(20)26-22)13-15-9-11-30-12-10-15/h4-8,14-15H,9-13H2,1-3H3,(H,24,26).
What are the key properties of 1,3,3-trimethyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one?
1,3,3-trimethyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one has a molecular weight of 405.50 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one is sourced from PubChem (CID 46186007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).