1-(9-methyl-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

C25H24N4O2 — CID 50902096

IUPAC1-(9-methyl-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
SMILESCn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)nc31)C1CCC(C2)N1
InChIInChI=1S/C25H24N4O2/c1-28-21-13-17-7-9-20(26-17)24(21)19-8-10-22(27-25(19)28)29-12-11-18(14-23(29)30)31-15-16-5-3-2-4-6-16/h2-6,8,10-12,14,17,20,26H,7,9,13,15H2,1H3
InChIKeyMSSDMKJGEPOJRU-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.65
Rot. Bonds4

About 1-(9-methyl-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-methyl-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 50902096) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 1-(9-methyl-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-methyl-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 CID50902096
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name1-(9-methyl-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
SMILESCn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)nc31)C1CCC(C2)N1
InChIInChI=1S/C25H24N4O2/c1-28-21-13-17-7-9-20(26-17)24(21)19-8-10-22(27-25(19)28)29-12-11-18(14-23(29)30)31-15-16-5-3-2-4-6-16/h2-6,8,10-12,14,17,20,26H,7,9,13,15H2,1H3
InChIKeyMSSDMKJGEPOJRU-UHFFFAOYSA-N
XLogP3.65
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(9-methyl-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-methyl-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-methyl-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 50902096) is 1-(9-methyl-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-methyl-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-methyl-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 Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)nc31)C1CCC(C2)N1.
What is the InChIKey of 1-(9-methyl-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 MSSDMKJGEPOJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-28-21-13-17-7-9-20(26-17)24(21)19-8-10-22(27-25(19)28)29-12-11-18(14-23(29)30)31-15-16-5-3-2-4-6-16/h2-6,8,10-12,14,17,20,26H,7,9,13,15H2,1H3.
What are the key properties of 1-(9-methyl-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-methyl-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 412.49 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-methyl-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 50902096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).