5,6-dimethyl-1,3-benzodioxole;formamide;5-[2-methyl-4-(methylamino)imidazo[4,5-c]pyridin-1-yl]pentan-1-ol

C23H33N5O4 — CID 143645719

IUPAC5,6-dimethyl-1,3-benzodioxole;formamide;5-[2-methyl-4-(methylamino)imidazo[4,5-c]pyridin-1-yl]pentan-1-ol
SMILESCNc1nccc2c1nc(C)n2CCCCCO.Cc1cc2c(cc1C)OCO2.NC=O
InChIInChI=1S/C13H20N4O.C9H10O2.CH3NO/c1-10-16-12-11(6-7-15-13(12)14-2)17(10)8-4-3-5-9-18;1-6-3-8-9(4-7(6)2)11-5-10-8;2-1-3/h6-7,18H,3-5,8-9H2,1-2H3,(H,14,15);3-4H,5H2,1-2H3;1H,(H2,2,3)
InChIKeyPXKATGSAZBQXFD-UHFFFAOYSA-N
MW443.55 g/mol
LogP3.08
Rot. Bonds6

About 5,6-dimethyl-1,3-benzodioxole;formamide;5-[2-methyl-4-(methylamino)imidazo[4,5-c]pyridin-1-yl]pentan-1-ol

5,6-dimethyl-1,3-benzodioxole;formamide;5-[2-methyl-4-(methylamino)imidazo[4,5-c]pyridin-1-yl]pentan-1-ol (PubChem CID 143645719) has the molecular formula C23H33N5O4 and a molecular weight of 443.55 g/mol. Its IUPAC name is 5,6-dimethyl-1,3-benzodioxole;formamide;5-[2-methyl-4-(methylamino)imidazo[4,5-c]pyridin-1-yl]pentan-1-ol.

Molecular Properties

Compound Name5,6-dimethyl-1,3-benzodioxole;formamide;5-[2-methyl-4-(methylamino)imidazo[4,5-c]pyridin-1-yl]pentan-1-ol
PubChem CID143645719
Molecular FormulaC23H33N5O4
Molecular Weight443.55 g/mol
Exact Mass443.25
IUPAC Name5,6-dimethyl-1,3-benzodioxole;formamide;5-[2-methyl-4-(methylamino)imidazo[4,5-c]pyridin-1-yl]pentan-1-ol
SMILESCNc1nccc2c1nc(C)n2CCCCCO.Cc1cc2c(cc1C)OCO2.NC=O
InChIInChI=1S/C13H20N4O.C9H10O2.CH3NO/c1-10-16-12-11(6-7-15-13(12)14-2)17(10)8-4-3-5-9-18;1-6-3-8-9(4-7(6)2)11-5-10-8;2-1-3/h6-7,18H,3-5,8-9H2,1-2H3,(H,14,15);3-4H,5H2,1-2H3;1H,(H2,2,3)
InChIKeyPXKATGSAZBQXFD-UHFFFAOYSA-N
XLogP3.08
TPSA124.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;N-hydroxy-5-[2-[4-(methylamino)-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethylamino]pentanamide
CID 145477719
2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethanol
CID 82149388
6-(5-amino-2-methylbenzimidazol-1-yl)hexan-1-ol
CID 107849624
3-(6-pyridin-4-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol
CID 82149606
3-(1,3-benzodioxol-5-yl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]prop-2-enamide
CID 55520927
ethane;2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]-1-pent-4-ynylimidazo[4,5-c]pyridin-4-amine
CID 145479860
ethyl 2-[4-amino-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]acetate
CID 59808546
4-methyl-5-[4-(methylamino)-1-pent-4-ynylimidazo[4,5-c]pyridin-2-yl]sulfanylbenzene-1,2-diol
CID 145479959
4-[2-[4-amino-2-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethylamino]-N-hydroxybutanamide
CID 25071476
N-(1,3-benzodioxol-5-yl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028556
2-(1,3-benzodioxol-5-yl)-N-(2-methyl-1-propylbenzimidazol-5-yl)acetamide
CID 131951300
6-(5-hydroxypentoxy)-1,3-benzodioxole-5-carbaldehyde
CID 62228686

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1,3-benzodioxole;formamide;5-[2-methyl-4-(methylamino)imidazo[4,5-c]pyridin-1-yl]pentan-1-ol?
The IUPAC name of 5,6-dimethyl-1,3-benzodioxole;formamide;5-[2-methyl-4-(methylamino)imidazo[4,5-c]pyridin-1-yl]pentan-1-ol (CID 143645719) is 5,6-dimethyl-1,3-benzodioxole;formamide;5-[2-methyl-4-(methylamino)imidazo[4,5-c]pyridin-1-yl]pentan-1-ol.
What is the SMILES notation for 5,6-dimethyl-1,3-benzodioxole;formamide;5-[2-methyl-4-(methylamino)imidazo[4,5-c]pyridin-1-yl]pentan-1-ol?
The canonical SMILES for 5,6-dimethyl-1,3-benzodioxole;formamide;5-[2-methyl-4-(methylamino)imidazo[4,5-c]pyridin-1-yl]pentan-1-ol is CNc1nccc2c1nc(C)n2CCCCCO.Cc1cc2c(cc1C)OCO2.NC=O.
What is the InChIKey of 5,6-dimethyl-1,3-benzodioxole;formamide;5-[2-methyl-4-(methylamino)imidazo[4,5-c]pyridin-1-yl]pentan-1-ol?
The InChIKey is PXKATGSAZBQXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O.C9H10O2.CH3NO/c1-10-16-12-11(6-7-15-13(12)14-2)17(10)8-4-3-5-9-18;1-6-3-8-9(4-7(6)2)11-5-10-8;2-1-3/h6-7,18H,3-5,8-9H2,1-2H3,(H,14,15);3-4H,5H2,1-2H3;1H,(H2,2,3).
What are the key properties of 5,6-dimethyl-1,3-benzodioxole;formamide;5-[2-methyl-4-(methylamino)imidazo[4,5-c]pyridin-1-yl]pentan-1-ol?
5,6-dimethyl-1,3-benzodioxole;formamide;5-[2-methyl-4-(methylamino)imidazo[4,5-c]pyridin-1-yl]pentan-1-ol has a molecular weight of 443.55 g/mol, XLogP of 3.08, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1,3-benzodioxole;formamide;5-[2-methyl-4-(methylamino)imidazo[4,5-c]pyridin-1-yl]pentan-1-ol is sourced from PubChem (CID 143645719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).