6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-imidazol-1-ylpropyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-4-amine

C20H24N6O — CID 134807929

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-imidazol-1-ylpropyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-4-amine
SMILESCc1noc(C)c1-c1cc2c(cc(C)n2C)c(NCCCn2ccnc2)n1
InChIInChI=1S/C20H24N6O/c1-13-10-16-18(25(13)4)11-17(19-14(2)24-27-15(19)3)23-20(16)22-6-5-8-26-9-7-21-12-26/h7,9-12H,5-6,8H2,1-4H3,(H,22,23)
InChIKeyHWZYYHQJERKFTQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.85
Rot. Bonds6

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-imidazol-1-ylpropyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-4-amine

6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-imidazol-1-ylpropyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-4-amine (PubChem CID 134807929) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-imidazol-1-ylpropyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-imidazol-1-ylpropyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-4-amine
PubChem CID134807929
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-imidazol-1-ylpropyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-4-amine
SMILESCc1noc(C)c1-c1cc2c(cc(C)n2C)c(NCCCn2ccnc2)n1
InChIInChI=1S/C20H24N6O/c1-13-10-16-18(25(13)4)11-17(19-14(2)24-27-15(19)3)23-20(16)22-6-5-8-26-9-7-21-12-26/h7,9-12H,5-6,8H2,1-4H3,(H,22,23)
InChIKeyHWZYYHQJERKFTQ-UHFFFAOYSA-N
XLogP3.85
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-imidazol-1-ylpropyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-4-amine?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-imidazol-1-ylpropyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-4-amine (CID 134807929) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-imidazol-1-ylpropyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-4-amine.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-imidazol-1-ylpropyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-4-amine?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-imidazol-1-ylpropyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-4-amine is Cc1noc(C)c1-c1cc2c(cc(C)n2C)c(NCCCn2ccnc2)n1.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-imidazol-1-ylpropyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-4-amine?
The InChIKey is HWZYYHQJERKFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-13-10-16-18(25(13)4)11-17(19-14(2)24-27-15(19)3)23-20(16)22-6-5-8-26-9-7-21-12-26/h7,9-12H,5-6,8H2,1-4H3,(H,22,23).
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-imidazol-1-ylpropyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-4-amine?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-imidazol-1-ylpropyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-4-amine has a molecular weight of 364.45 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-imidazol-1-ylpropyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-4-amine is sourced from PubChem (CID 134807929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).