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

C23H27N5O2 — CID 46185246

IUPAC3,3,4-trimethyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one
SMILESCc1cc(Nc2nc3cccc(CC4CCOCC4)n3n2)cc2c1C(C)(C)C(=O)N2
InChIInChI=1S/C23H27N5O2/c1-14-11-16(13-18-20(14)23(2,3)21(29)25-18)24-22-26-19-6-4-5-17(28(19)27-22)12-15-7-9-30-10-8-15/h4-6,11,13,15H,7-10,12H2,1-3H3,(H,24,27)(H,25,29)
InChIKeyRTTUJJMQKIDZHP-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.98
Rot. Bonds4

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

3,3,4-trimethyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one (PubChem CID 46185246) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 3,3,4-trimethyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one.

Molecular Properties

Compound Name3,3,4-trimethyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one
PubChem CID46185246
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name3,3,4-trimethyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one
SMILESCc1cc(Nc2nc3cccc(CC4CCOCC4)n3n2)cc2c1C(C)(C)C(=O)N2
InChIInChI=1S/C23H27N5O2/c1-14-11-16(13-18-20(14)23(2,3)21(29)25-18)24-22-26-19-6-4-5-17(28(19)27-22)12-15-7-9-30-10-8-15/h4-6,11,13,15H,7-10,12H2,1-3H3,(H,24,27)(H,25,29)
InChIKeyRTTUJJMQKIDZHP-UHFFFAOYSA-N
XLogP3.98
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,3,4-trimethyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one?
The IUPAC name of 3,3,4-trimethyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one (CID 46185246) is 3,3,4-trimethyl-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 3,3,4-trimethyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one?
The canonical SMILES for 3,3,4-trimethyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one is Cc1cc(Nc2nc3cccc(CC4CCOCC4)n3n2)cc2c1C(C)(C)C(=O)N2.
What is the InChIKey of 3,3,4-trimethyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one?
The InChIKey is RTTUJJMQKIDZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-14-11-16(13-18-20(14)23(2,3)21(29)25-18)24-22-26-19-6-4-5-17(28(19)27-22)12-15-7-9-30-10-8-15/h4-6,11,13,15H,7-10,12H2,1-3H3,(H,24,27)(H,25,29).
What are the key properties of 3,3,4-trimethyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one?
3,3,4-trimethyl-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 405.50 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trimethyl-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 46185246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).