6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-phenyl-N-pyrimidin-4-ylpyrrolo[3,2-c]pyridin-4-amine

C23H20N6O — CID 134806457

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-phenyl-N-pyrimidin-4-ylpyrrolo[3,2-c]pyridin-4-amine
SMILESCc1noc(C)c1-c1cc2c(cc(-c3ccccc3)n2C)c(Nc2ccncn2)n1
InChIInChI=1S/C23H20N6O/c1-14-22(15(2)30-28-14)18-12-20-17(23(26-18)27-21-9-10-24-13-25-21)11-19(29(20)3)16-7-5-4-6-8-16/h4-13H,1-3H3,(H,24,25,26,27)
InChIKeyAOZSCVOSKCCSJW-UHFFFAOYSA-N
MW396.45 g/mol
LogP5.05
Rot. Bonds4

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-phenyl-N-pyrimidin-4-ylpyrrolo[3,2-c]pyridin-4-amine

6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-phenyl-N-pyrimidin-4-ylpyrrolo[3,2-c]pyridin-4-amine (PubChem CID 134806457) has the molecular formula C23H20N6O and a molecular weight of 396.45 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-phenyl-N-pyrimidin-4-ylpyrrolo[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-phenyl-N-pyrimidin-4-ylpyrrolo[3,2-c]pyridin-4-amine
PubChem CID134806457
Molecular FormulaC23H20N6O
Molecular Weight396.45 g/mol
Exact Mass396.17
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-phenyl-N-pyrimidin-4-ylpyrrolo[3,2-c]pyridin-4-amine
SMILESCc1noc(C)c1-c1cc2c(cc(-c3ccccc3)n2C)c(Nc2ccncn2)n1
InChIInChI=1S/C23H20N6O/c1-14-22(15(2)30-28-14)18-12-20-17(23(26-18)27-21-9-10-24-13-25-21)11-19(29(20)3)16-7-5-4-6-8-16/h4-13H,1-3H3,(H,24,25,26,27)
InChIKeyAOZSCVOSKCCSJW-UHFFFAOYSA-N
XLogP5.05
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.45
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', '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)-1-methyl-2-phenyl-N-pyrimidin-4-ylpyrrolo[3,2-c]pyridin-4-amine?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-phenyl-N-pyrimidin-4-ylpyrrolo[3,2-c]pyridin-4-amine (CID 134806457) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-phenyl-N-pyrimidin-4-ylpyrrolo[3,2-c]pyridin-4-amine.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-phenyl-N-pyrimidin-4-ylpyrrolo[3,2-c]pyridin-4-amine?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-phenyl-N-pyrimidin-4-ylpyrrolo[3,2-c]pyridin-4-amine is Cc1noc(C)c1-c1cc2c(cc(-c3ccccc3)n2C)c(Nc2ccncn2)n1.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-phenyl-N-pyrimidin-4-ylpyrrolo[3,2-c]pyridin-4-amine?
The InChIKey is AOZSCVOSKCCSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O/c1-14-22(15(2)30-28-14)18-12-20-17(23(26-18)27-21-9-10-24-13-25-21)11-19(29(20)3)16-7-5-4-6-8-16/h4-13H,1-3H3,(H,24,25,26,27).
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-phenyl-N-pyrimidin-4-ylpyrrolo[3,2-c]pyridin-4-amine?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-phenyl-N-pyrimidin-4-ylpyrrolo[3,2-c]pyridin-4-amine has a molecular weight of 396.45 g/mol, XLogP of 5.05, 4 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)-1-methyl-2-phenyl-N-pyrimidin-4-ylpyrrolo[3,2-c]pyridin-4-amine is sourced from PubChem (CID 134806457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).