1-(15-acetyl-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;1-(9-methyl-15-propan-2-yl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one

C57H58N6O5 — CID 123236330

IUPAC1-(15-acetyl-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;1-(9-methyl-15-propan-2-yl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one
SMILESCC(=O)N1C2CCC1c1c(n(C)c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc13)C2.CC(C)N1C2CCC1c1c(n(C)c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc13)C2
InChIInChI=1S/C29H31N3O2.C28H27N3O3/c1-19(2)32-22-10-12-25(32)29-24-11-9-21(15-26(24)30(3)27(29)16-22)31-14-13-23(17-28(31)33)34-18-20-7-5-4-6-8-20;1-18(32)31-21-9-11-24(31)28-23-10-8-20(14-25(23)29(2)26(28)15-21)30-13-12-22(16-27(30)33)34-17-19-6-4-3-5-7-19/h4-9,11,13-15,17,19,22,25H,10,12,16,18H2,1-3H3;3-8,10,12-14,16,21,24H,9,11,15,17H2,1-2H3
InChIKeyGYJFLJBVEOMBEG-UHFFFAOYSA-N
MW907.13 g/mol
LogP9.89
Rot. Bonds9

About 1-(15-acetyl-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;1-(9-methyl-15-propan-2-yl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one

1-(15-acetyl-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;1-(9-methyl-15-propan-2-yl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one (PubChem CID 123236330) has the molecular formula C57H58N6O5 and a molecular weight of 907.13 g/mol. Its IUPAC name is 1-(15-acetyl-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;1-(9-methyl-15-propan-2-yl-9,15-diazatetracyclo[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-(15-acetyl-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;1-(9-methyl-15-propan-2-yl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one
PubChem CID123236330
Molecular FormulaC57H58N6O5
Molecular Weight907.13 g/mol
Exact Mass906.45
IUPAC Name1-(15-acetyl-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;1-(9-methyl-15-propan-2-yl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one
SMILESCC(=O)N1C2CCC1c1c(n(C)c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc13)C2.CC(C)N1C2CCC1c1c(n(C)c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc13)C2
InChIInChI=1S/C29H31N3O2.C28H27N3O3/c1-19(2)32-22-10-12-25(32)29-24-11-9-21(15-26(24)30(3)27(29)16-22)31-14-13-23(17-28(31)33)34-18-20-7-5-4-6-8-20;1-18(32)31-21-9-11-24(31)28-23-10-8-20(14-25(23)29(2)26(28)15-21)30-13-12-22(16-27(30)33)34-17-19-6-4-3-5-7-19/h4-9,11,13-15,17,19,22,25H,10,12,16,18H2,1-3H3;3-8,10,12-14,16,21,24H,9,11,15,17H2,1-2H3
InChIKeyGYJFLJBVEOMBEG-UHFFFAOYSA-N
XLogP9.89
TPSA95.87 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.13
LogP ≤ 59.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 1-(15-acetyl-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;1-(9-methyl-15-propan-2-yl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-Methyl-3,12-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4(9),5,7-tetraen-6-yl)-4-phenylmethoxypyridin-2-one
CID 49836016
1-(2-Acetyl-5-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-4-(benzyloxy)pyridin-2(1H)-one
CID 44194482
4-(benzyloxy)-1-(2-(2-hydroxyethyl)-5-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2(1H)-one
CID 44194749
4-(benzyloxy)-1-(2,5-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2(1H)-one
CID 44194849
4-(benzyloxy)-1-(2,9-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-7-yl)pyridin-2(1H)-one
CID 52941699
1-(8-methyl-2,3,4,6,7,12c-hexahydro-1H-indolo[3,2-a]quinolizin-10-yl)-4-phenylmethoxypyridin-2-one
CID 49868916
1-(10-Methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-8-yl)-4-[(6-methyl-3-pyridinyl)methoxy]pyridin-2-one
CID 49868918
1-(7-Methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-9-yl)-4-phenylmethoxypyridin-2-one
CID 49869049
1-(7-Methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-9-yl)-4-[(6-methyl-3-pyridinyl)methoxy]pyridin-2-one
CID 49869186
4-[(5-Fluoro-2-pyridinyl)methoxy]-1-(7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-9-yl)pyridin-2-one
CID 49869331
1-(11-Methyl-1,2,3,5,6,11b-hexahydroindolizino[8,7-b]indol-9-yl)-4-phenylmethoxypyridin-2-one
CID 49870553
1-(12-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizin-10-yl)-4-phenylmethoxypyridin-2-one
CID 49870554

Frequently Asked Questions

What is the IUPAC name of 1-(15-acetyl-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;1-(9-methyl-15-propan-2-yl-9,15-diazatetracyclo[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-(15-acetyl-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;1-(9-methyl-15-propan-2-yl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one (CID 123236330) is 1-(15-acetyl-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;1-(9-methyl-15-propan-2-yl-9,15-diazatetracyclo[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-(15-acetyl-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;1-(9-methyl-15-propan-2-yl-9,15-diazatetracyclo[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-(15-acetyl-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;1-(9-methyl-15-propan-2-yl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one is CC(=O)N1C2CCC1c1c(n(C)c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc13)C2.CC(C)N1C2CCC1c1c(n(C)c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc13)C2.
What is the InChIKey of 1-(15-acetyl-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;1-(9-methyl-15-propan-2-yl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one?
The InChIKey is GYJFLJBVEOMBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O2.C28H27N3O3/c1-19(2)32-22-10-12-25(32)29-24-11-9-21(15-26(24)30(3)27(29)16-22)31-14-13-23(17-28(31)33)34-18-20-7-5-4-6-8-20;1-18(32)31-21-9-11-24(31)28-23-10-8-20(14-25(23)29(2)26(28)15-21)30-13-12-22(16-27(30)33)34-17-19-6-4-3-5-7-19/h4-9,11,13-15,17,19,22,25H,10,12,16,18H2,1-3H3;3-8,10,12-14,16,21,24H,9,11,15,17H2,1-2H3.
What are the key properties of 1-(15-acetyl-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;1-(9-methyl-15-propan-2-yl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one?
1-(15-acetyl-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;1-(9-methyl-15-propan-2-yl-9,15-diazatetracyclo[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 907.13 g/mol, XLogP of 9.89, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(15-acetyl-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;1-(9-methyl-15-propan-2-yl-9,15-diazatetracyclo[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 123236330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).