4-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16)-hexaen-12-one

C25H25N5O3 — CID 25066412

IUPAC4-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16)-hexaen-12-one
SMILESO=C1NCCc2[nH]c3c(ccc4cnc(-c5cncc(OCCN6CCOCC6)c5)cc43)c21
InChIInChI=1S/C25H25N5O3/c31-25-23-19-2-1-16-14-28-22(12-20(16)24(19)29-21(23)3-4-27-25)17-11-18(15-26-13-17)33-10-7-30-5-8-32-9-6-30/h1-2,11-15,29H,3-10H2,(H,27,31)
InChIKeyRDCWVMUIPUMVKS-UHFFFAOYSA-N
MW443.51 g/mol
LogP2.78
Rot. Bonds5

About 4-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16)-hexaen-12-one

4-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16)-hexaen-12-one (PubChem CID 25066412) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is 4-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16)-hexaen-12-one.

Molecular Properties

Compound Name4-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16)-hexaen-12-one
PubChem CID25066412
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Name4-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16)-hexaen-12-one
SMILESO=C1NCCc2[nH]c3c(ccc4cnc(-c5cncc(OCCN6CCOCC6)c5)cc43)c21
InChIInChI=1S/C25H25N5O3/c31-25-23-19-2-1-16-14-28-22(12-20(16)24(19)29-21(23)3-4-27-25)17-11-18(15-26-13-17)33-10-7-30-5-8-32-9-6-30/h1-2,11-15,29H,3-10H2,(H,27,31)
InChIKeyRDCWVMUIPUMVKS-UHFFFAOYSA-N
XLogP2.78
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16)-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]-5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16)-hexaen-12-one?
The IUPAC name of 4-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16)-hexaen-12-one (CID 25066412) is 4-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16)-hexaen-12-one.
What is the SMILES notation for 4-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16)-hexaen-12-one?
The canonical SMILES for 4-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16)-hexaen-12-one is O=C1NCCc2[nH]c3c(ccc4cnc(-c5cncc(OCCN6CCOCC6)c5)cc43)c21.
What is the InChIKey of 4-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16)-hexaen-12-one?
The InChIKey is RDCWVMUIPUMVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c31-25-23-19-2-1-16-14-28-22(12-20(16)24(19)29-21(23)3-4-27-25)17-11-18(15-26-13-17)33-10-7-30-5-8-32-9-6-30/h1-2,11-15,29H,3-10H2,(H,27,31).
What are the key properties of 4-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16)-hexaen-12-one?
4-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16)-hexaen-12-one has a molecular weight of 443.51 g/mol, XLogP of 2.78, 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]-5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16)-hexaen-12-one is sourced from PubChem (CID 25066412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).