6-[[4-ethoxy-6-(pyridin-4-ylmethylamino)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one

C19H19N7O2 — CID 58039370

IUPAC6-[[4-ethoxy-6-(pyridin-4-ylmethylamino)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one
SMILESCCOc1nc(NCc2ccncc2)nc(Nc2ccc3c(c2)NC(=O)C3)n1
InChIInChI=1S/C19H19N7O2/c1-2-28-19-25-17(21-11-12-5-7-20-8-6-12)24-18(26-19)22-14-4-3-13-9-16(27)23-15(13)10-14/h3-8,10H,2,9,11H2,1H3,(H,23,27)(H2,21,22,24,25,26)
InChIKeyZIXXAYQDUQEVNA-UHFFFAOYSA-N
MW377.41 g/mol
LogP2.52
Rot. Bonds7

About 6-[[4-ethoxy-6-(pyridin-4-ylmethylamino)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one

6-[[4-ethoxy-6-(pyridin-4-ylmethylamino)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one (PubChem CID 58039370) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is 6-[[4-ethoxy-6-(pyridin-4-ylmethylamino)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[[4-ethoxy-6-(pyridin-4-ylmethylamino)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one
PubChem CID58039370
Molecular FormulaC19H19N7O2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Name6-[[4-ethoxy-6-(pyridin-4-ylmethylamino)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one
SMILESCCOc1nc(NCc2ccncc2)nc(Nc2ccc3c(c2)NC(=O)C3)n1
InChIInChI=1S/C19H19N7O2/c1-2-28-19-25-17(21-11-12-5-7-20-8-6-12)24-18(26-19)22-14-4-3-13-9-16(27)23-15(13)10-14/h3-8,10H,2,9,11H2,1H3,(H,23,27)(H2,21,22,24,25,26)
InChIKeyZIXXAYQDUQEVNA-UHFFFAOYSA-N
XLogP2.52
TPSA113.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-[[4-ethoxy-6-(pyridin-4-ylmethylamino)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-ethoxy-6-(pyridin-4-ylmethylamino)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one?
The IUPAC name of 6-[[4-ethoxy-6-(pyridin-4-ylmethylamino)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one (CID 58039370) is 6-[[4-ethoxy-6-(pyridin-4-ylmethylamino)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[[4-ethoxy-6-(pyridin-4-ylmethylamino)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[[4-ethoxy-6-(pyridin-4-ylmethylamino)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one is CCOc1nc(NCc2ccncc2)nc(Nc2ccc3c(c2)NC(=O)C3)n1.
What is the InChIKey of 6-[[4-ethoxy-6-(pyridin-4-ylmethylamino)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one?
The InChIKey is ZIXXAYQDUQEVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2/c1-2-28-19-25-17(21-11-12-5-7-20-8-6-12)24-18(26-19)22-14-4-3-13-9-16(27)23-15(13)10-14/h3-8,10H,2,9,11H2,1H3,(H,23,27)(H2,21,22,24,25,26).
What are the key properties of 6-[[4-ethoxy-6-(pyridin-4-ylmethylamino)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one?
6-[[4-ethoxy-6-(pyridin-4-ylmethylamino)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one has a molecular weight of 377.41 g/mol, XLogP of 2.52, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-ethoxy-6-(pyridin-4-ylmethylamino)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 58039370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).