1-[4-[methyl-[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]amino]piperidin-1-yl]ethanone

C26H33N9O2 — CID 67492685

IUPAC1-[4-[methyl-[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N(C)c2nc3c(N4CCOCC4)nc(-n4c(C)nc5ccccc54)nc3n2C)CC1
InChIInChI=1S/C26H33N9O2/c1-17-27-20-7-5-6-8-21(20)35(17)25-29-23-22(24(30-25)34-13-15-37-16-14-34)28-26(32(23)4)31(3)19-9-11-33(12-10-19)18(2)36/h5-8,19H,9-16H2,1-4H3
InChIKeyRLERSIUJYHYQNT-UHFFFAOYSA-N
MW503.61 g/mol
LogP2.29
Rot. Bonds4

About 1-[4-[methyl-[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]amino]piperidin-1-yl]ethanone

1-[4-[methyl-[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]amino]piperidin-1-yl]ethanone (PubChem CID 67492685) has the molecular formula C26H33N9O2 and a molecular weight of 503.61 g/mol. Its IUPAC name is 1-[4-[methyl-[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[methyl-[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]amino]piperidin-1-yl]ethanone
PubChem CID67492685
Molecular FormulaC26H33N9O2
Molecular Weight503.61 g/mol
Exact Mass503.28
IUPAC Name1-[4-[methyl-[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N(C)c2nc3c(N4CCOCC4)nc(-n4c(C)nc5ccccc54)nc3n2C)CC1
InChIInChI=1S/C26H33N9O2/c1-17-27-20-7-5-6-8-21(20)35(17)25-29-23-22(24(30-25)34-13-15-37-16-14-34)28-26(32(23)4)31(3)19-9-11-33(12-10-19)18(2)36/h5-8,19H,9-16H2,1-4H3
InChIKeyRLERSIUJYHYQNT-UHFFFAOYSA-N
XLogP2.29
TPSA97.44 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.61
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-[4-[methyl-[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]amino]piperidin-1-yl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[methyl-[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[methyl-[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]amino]piperidin-1-yl]ethanone (CID 67492685) is 1-[4-[methyl-[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[methyl-[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[methyl-[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(N(C)c2nc3c(N4CCOCC4)nc(-n4c(C)nc5ccccc54)nc3n2C)CC1.
What is the InChIKey of 1-[4-[methyl-[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]amino]piperidin-1-yl]ethanone?
The InChIKey is RLERSIUJYHYQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N9O2/c1-17-27-20-7-5-6-8-21(20)35(17)25-29-23-22(24(30-25)34-13-15-37-16-14-34)28-26(32(23)4)31(3)19-9-11-33(12-10-19)18(2)36/h5-8,19H,9-16H2,1-4H3.
What are the key properties of 1-[4-[methyl-[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]amino]piperidin-1-yl]ethanone?
1-[4-[methyl-[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]amino]piperidin-1-yl]ethanone has a molecular weight of 503.61 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[methyl-[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 67492685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).