1-(9,15-dimethyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one

C26H26N4O2 — CID 50902097

IUPAC1-(9,15-dimethyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one
SMILESCN1C2CCC1c1c(n(C)c3nc(-n4ccc(OCc5ccccc5)cc4=O)ccc13)C2
InChIInChI=1S/C26H26N4O2/c1-28-18-8-10-21(28)25-20-9-11-23(27-26(20)29(2)22(25)14-18)30-13-12-19(15-24(30)31)32-16-17-6-4-3-5-7-17/h3-7,9,11-13,15,18,21H,8,10,14,16H2,1-2H3
InChIKeyMOSVKKKFWWALMP-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.99
Rot. Bonds4

About 1-(9,15-dimethyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one

1-(9,15-dimethyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one (PubChem CID 50902097) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 1-(9,15-dimethyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-(9,15-dimethyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one
PubChem CID50902097
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name1-(9,15-dimethyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one
SMILESCN1C2CCC1c1c(n(C)c3nc(-n4ccc(OCc5ccccc5)cc4=O)ccc13)C2
InChIInChI=1S/C26H26N4O2/c1-28-18-8-10-21(28)25-20-9-11-23(27-26(20)29(2)22(25)14-18)30-13-12-19(15-24(30)31)32-16-17-6-4-3-5-7-17/h3-7,9,11-13,15,18,21H,8,10,14,16H2,1-2H3
InChIKeyMOSVKKKFWWALMP-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(9,15-dimethyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(9,15-dimethyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-(9,15-dimethyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one (CID 50902097) is 1-(9,15-dimethyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-(9,15-dimethyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-(9,15-dimethyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one is CN1C2CCC1c1c(n(C)c3nc(-n4ccc(OCc5ccccc5)cc4=O)ccc13)C2.
What is the InChIKey of 1-(9,15-dimethyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one?
The InChIKey is MOSVKKKFWWALMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-28-18-8-10-21(28)25-20-9-11-23(27-26(20)29(2)22(25)14-18)30-13-12-19(15-24(30)31)32-16-17-6-4-3-5-7-17/h3-7,9,11-13,15,18,21H,8,10,14,16H2,1-2H3.
What are the key properties of 1-(9,15-dimethyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one?
1-(9,15-dimethyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one has a molecular weight of 426.52 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,15-dimethyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 50902097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).