4-(1H-indol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine

C22H23N7O — CID 58508140

IUPAC4-(1H-indol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
SMILESc1cncc(CCNc2nc(-c3cccc4[nH]ccc34)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C22H23N7O/c1-4-18(17-7-10-24-19(17)5-1)20-26-21(25-9-6-16-3-2-8-23-15-16)28-22(27-20)29-11-13-30-14-12-29/h1-5,7-8,10,15,24H,6,9,11-14H2,(H,25,26,27,28)
InChIKeyHKHSXTBMJLIFRA-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.91
Rot. Bonds6

About 4-(1H-indol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine

4-(1H-indol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine (PubChem CID 58508140) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is 4-(1H-indol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1H-indol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
PubChem CID58508140
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC Name4-(1H-indol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
SMILESc1cncc(CCNc2nc(-c3cccc4[nH]ccc34)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C22H23N7O/c1-4-18(17-7-10-24-19(17)5-1)20-26-21(25-9-6-16-3-2-8-23-15-16)28-22(27-20)29-11-13-30-14-12-29/h1-5,7-8,10,15,24H,6,9,11-14H2,(H,25,26,27,28)
InChIKeyHKHSXTBMJLIFRA-UHFFFAOYSA-N
XLogP2.91
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1H-indol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine (CID 58508140) is 4-(1H-indol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1H-indol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1H-indol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine is c1cncc(CCNc2nc(-c3cccc4[nH]ccc34)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 4-(1H-indol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine?
The InChIKey is HKHSXTBMJLIFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-4-18(17-7-10-24-19(17)5-1)20-26-21(25-9-6-16-3-2-8-23-15-16)28-22(27-20)29-11-13-30-14-12-29/h1-5,7-8,10,15,24H,6,9,11-14H2,(H,25,26,27,28).
What are the key properties of 4-(1H-indol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine?
4-(1H-indol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine has a molecular weight of 401.47 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 58508140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).