1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)-4-phenylmethoxypyridin-2-one

C26H26N4O2 — CID 58092269

IUPAC1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)-4-phenylmethoxypyridin-2-one
SMILESCn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)nc31)CN1CCCC1C2
InChIInChI=1S/C26H26N4O2/c1-28-23-14-19-8-5-12-29(19)16-22(23)21-9-10-24(27-26(21)28)30-13-11-20(15-25(30)31)32-17-18-6-3-2-4-7-18/h2-4,6-7,9-11,13,15,19H,5,8,12,14,16-17H2,1H3
InChIKeyXSRCSDPPGHTDIE-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.82
Rot. Bonds4

About 1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)-4-phenylmethoxypyridin-2-one

1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)-4-phenylmethoxypyridin-2-one (PubChem CID 58092269) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)-4-phenylmethoxypyridin-2-one
PubChem CID58092269
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)-4-phenylmethoxypyridin-2-one
SMILESCn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)nc31)CN1CCCC1C2
InChIInChI=1S/C26H26N4O2/c1-28-23-14-19-8-5-12-29(19)16-22(23)21-9-10-24(27-26(21)28)30-13-11-20(15-25(30)31)32-17-18-6-3-2-4-7-18/h2-4,6-7,9-11,13,15,19H,5,8,12,14,16-17H2,1H3
InChIKeyXSRCSDPPGHTDIE-UHFFFAOYSA-N
XLogP3.82
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)-4-phenylmethoxypyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)-4-phenylmethoxypyridin-2-one (CID 58092269) is 1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)-4-phenylmethoxypyridin-2-one is Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)nc31)CN1CCCC1C2.
What is the InChIKey of 1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)-4-phenylmethoxypyridin-2-one?
The InChIKey is XSRCSDPPGHTDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-28-23-14-19-8-5-12-29(19)16-22(23)21-9-10-24(27-26(21)28)30-13-11-20(15-25(30)31)32-17-18-6-3-2-4-7-18/h2-4,6-7,9-11,13,15,19H,5,8,12,14,16-17H2,1H3.
What are the key properties of 1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)-4-phenylmethoxypyridin-2-one?
1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)-4-phenylmethoxypyridin-2-one has a molecular weight of 426.52 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 58092269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).