4-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5,13,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15)-hexaen-12-one

C24H23N5O3 — CID 25066206

IUPAC4-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5,13,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15)-hexaen-12-one
SMILESO=C1NCc2[nH]c3c(ccc4cnc(-c5cncc(OCCN6CCOCC6)c5)cc43)c21
InChIInChI=1S/C24H23N5O3/c30-24-22-18-2-1-15-12-26-20(10-19(15)23(18)28-21(22)14-27-24)16-9-17(13-25-11-16)32-8-5-29-3-6-31-7-4-29/h1-2,9-13,28H,3-8,14H2,(H,27,30)
InChIKeyBEYORXSIIKUPCA-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.73
Rot. Bonds5

About 4-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5,13,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15)-hexaen-12-one

4-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5,13,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15)-hexaen-12-one (PubChem CID 25066206) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 4-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5,13,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15)-hexaen-12-one.

Molecular Properties

Compound Name4-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5,13,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15)-hexaen-12-one
PubChem CID25066206
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name4-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5,13,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15)-hexaen-12-one
SMILESO=C1NCc2[nH]c3c(ccc4cnc(-c5cncc(OCCN6CCOCC6)c5)cc43)c21
InChIInChI=1S/C24H23N5O3/c30-24-22-18-2-1-15-12-26-20(10-19(15)23(18)28-21(22)14-27-24)16-9-17(13-25-11-16)32-8-5-29-3-6-31-7-4-29/h1-2,9-13,28H,3-8,14H2,(H,27,30)
InChIKeyBEYORXSIIKUPCA-UHFFFAOYSA-N
XLogP2.73
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5,13,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15)-hexaen-12-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5,13,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15)-hexaen-12-one?
The IUPAC name of 4-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5,13,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15)-hexaen-12-one (CID 25066206) is 4-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5,13,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15)-hexaen-12-one.
What is the SMILES notation for 4-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5,13,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15)-hexaen-12-one?
The canonical SMILES for 4-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5,13,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15)-hexaen-12-one is O=C1NCc2[nH]c3c(ccc4cnc(-c5cncc(OCCN6CCOCC6)c5)cc43)c21.
What is the InChIKey of 4-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5,13,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15)-hexaen-12-one?
The InChIKey is BEYORXSIIKUPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c30-24-22-18-2-1-15-12-26-20(10-19(15)23(18)28-21(22)14-27-24)16-9-17(13-25-11-16)32-8-5-29-3-6-31-7-4-29/h1-2,9-13,28H,3-8,14H2,(H,27,30).
What are the key properties of 4-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5,13,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15)-hexaen-12-one?
4-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5,13,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15)-hexaen-12-one has a molecular weight of 429.48 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5,13,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15)-hexaen-12-one is sourced from PubChem (CID 25066206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).