4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-methoxyethyl)pyrimidin-2-amine

C23H25FN6O — CID 24746218

IUPAC4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-methoxyethyl)pyrimidin-2-amine
SMILESCOCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C)ccn23)n1
InChIInChI=1S/C23H25FN6O/c1-29(2)15-16-9-12-30-20(14-16)28-21(17-4-6-18(24)7-5-17)22(30)19-8-10-25-23(27-19)26-11-13-31-3/h4-10,12,14H,11,13,15H2,1-3H3,(H,25,26,27)
InChIKeyIJZHLAORTDJHEU-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.72
Rot. Bonds8

About 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-methoxyethyl)pyrimidin-2-amine

4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-methoxyethyl)pyrimidin-2-amine (PubChem CID 24746218) has the molecular formula C23H25FN6O and a molecular weight of 420.49 g/mol. Its IUPAC name is 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-methoxyethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-methoxyethyl)pyrimidin-2-amine
PubChem CID24746218
Molecular FormulaC23H25FN6O
Molecular Weight420.49 g/mol
Exact Mass420.21
IUPAC Name4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-methoxyethyl)pyrimidin-2-amine
SMILESCOCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C)ccn23)n1
InChIInChI=1S/C23H25FN6O/c1-29(2)15-16-9-12-30-20(14-16)28-21(17-4-6-18(24)7-5-17)22(30)19-8-10-25-23(27-19)26-11-13-31-3/h4-10,12,14H,11,13,15H2,1-3H3,(H,25,26,27)
InChIKeyIJZHLAORTDJHEU-UHFFFAOYSA-N
XLogP3.72
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-methoxyethyl)pyrimidin-2-amine?
The IUPAC name of 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-methoxyethyl)pyrimidin-2-amine (CID 24746218) is 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-methoxyethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-methoxyethyl)pyrimidin-2-amine?
The canonical SMILES for 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-methoxyethyl)pyrimidin-2-amine is COCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C)ccn23)n1.
What is the InChIKey of 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-methoxyethyl)pyrimidin-2-amine?
The InChIKey is IJZHLAORTDJHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O/c1-29(2)15-16-9-12-30-20(14-16)28-21(17-4-6-18(24)7-5-17)22(30)19-8-10-25-23(27-19)26-11-13-31-3/h4-10,12,14H,11,13,15H2,1-3H3,(H,25,26,27).
What are the key properties of 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-methoxyethyl)pyrimidin-2-amine?
4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-methoxyethyl)pyrimidin-2-amine has a molecular weight of 420.49 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-methoxyethyl)pyrimidin-2-amine is sourced from PubChem (CID 24746218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).