4-(6-propan-2-yloxy-3-pyridinyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclobutane]-12-one

C25H26N4O2 — CID 59558363

IUPAC4-(6-propan-2-yloxy-3-pyridinyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclobutane]-12-one
SMILESCC(C)Oc1ccc(-c2cc3c(cn2)CCc2c-3[nH]c3c2C(=O)NC2(CCC2)C3)cn1
InChIInChI=1S/C25H26N4O2/c1-14(2)31-21-7-5-16(13-27-21)19-10-18-15(12-26-19)4-6-17-22-20(28-23(17)18)11-25(8-3-9-25)29-24(22)30/h5,7,10,12-14,28H,3-4,6,8-9,11H2,1-2H3,(H,29,30)
InChIKeyRDUYLEKRUJIHFB-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.23
Rot. Bonds3

About 4-(6-propan-2-yloxy-3-pyridinyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclobutane]-12-one

4-(6-propan-2-yloxy-3-pyridinyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclobutane]-12-one (PubChem CID 59558363) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 4-(6-propan-2-yloxy-3-pyridinyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclobutane]-12-one.

Molecular Properties

Compound Name4-(6-propan-2-yloxy-3-pyridinyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclobutane]-12-one
PubChem CID59558363
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name4-(6-propan-2-yloxy-3-pyridinyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclobutane]-12-one
SMILESCC(C)Oc1ccc(-c2cc3c(cn2)CCc2c-3[nH]c3c2C(=O)NC2(CCC2)C3)cn1
InChIInChI=1S/C25H26N4O2/c1-14(2)31-21-7-5-16(13-27-21)19-10-18-15(12-26-19)4-6-17-22-20(28-23(17)18)11-25(8-3-9-25)29-24(22)30/h5,7,10,12-14,28H,3-4,6,8-9,11H2,1-2H3,(H,29,30)
InChIKeyRDUYLEKRUJIHFB-UHFFFAOYSA-N
XLogP4.23
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(6-propan-2-yloxy-3-pyridinyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclobutane]-12-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(6-propan-2-yloxy-3-pyridinyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclobutane]-12-one?
The IUPAC name of 4-(6-propan-2-yloxy-3-pyridinyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclobutane]-12-one (CID 59558363) is 4-(6-propan-2-yloxy-3-pyridinyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclobutane]-12-one.
What is the SMILES notation for 4-(6-propan-2-yloxy-3-pyridinyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclobutane]-12-one?
The canonical SMILES for 4-(6-propan-2-yloxy-3-pyridinyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclobutane]-12-one is CC(C)Oc1ccc(-c2cc3c(cn2)CCc2c-3[nH]c3c2C(=O)NC2(CCC2)C3)cn1.
What is the InChIKey of 4-(6-propan-2-yloxy-3-pyridinyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclobutane]-12-one?
The InChIKey is RDUYLEKRUJIHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-14(2)31-21-7-5-16(13-27-21)19-10-18-15(12-26-19)4-6-17-22-20(28-23(17)18)11-25(8-3-9-25)29-24(22)30/h5,7,10,12-14,28H,3-4,6,8-9,11H2,1-2H3,(H,29,30).
What are the key properties of 4-(6-propan-2-yloxy-3-pyridinyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclobutane]-12-one?
4-(6-propan-2-yloxy-3-pyridinyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclobutane]-12-one has a molecular weight of 414.51 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-propan-2-yloxy-3-pyridinyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclobutane]-12-one is sourced from PubChem (CID 59558363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).