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

C27H25FN6O — CID 58824495

IUPAC4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CN(C)C)ccn34)n2)cc1
InChIInChI=1S/C27H25FN6O/c1-33(2)17-18-13-15-34-24(16-18)32-25(19-4-6-20(28)7-5-19)26(34)23-12-14-29-27(31-23)30-21-8-10-22(35-3)11-9-21/h4-16H,17H2,1-3H3,(H,29,30,31)
InChIKeyZGSSYECQOXYONW-UHFFFAOYSA-N
MW468.54 g/mol
LogP5.41
Rot. Bonds7

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

4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methoxyphenyl)pyrimidin-2-amine (PubChem CID 58824495) has the molecular formula C27H25FN6O and a molecular weight of 468.54 g/mol. Its IUPAC name is 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methoxyphenyl)pyrimidin-2-amine
PubChem CID58824495
Molecular FormulaC27H25FN6O
Molecular Weight468.54 g/mol
Exact Mass468.21
IUPAC Name4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CN(C)C)ccn34)n2)cc1
InChIInChI=1S/C27H25FN6O/c1-33(2)17-18-13-15-34-24(16-18)32-25(19-4-6-20(28)7-5-19)26(34)23-12-14-29-27(31-23)30-21-8-10-22(35-3)11-9-21/h4-16H,17H2,1-3H3,(H,29,30,31)
InChIKeyZGSSYECQOXYONW-UHFFFAOYSA-N
XLogP5.41
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.54
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(4-methoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methoxyphenyl)pyrimidin-2-amine (CID 58824495) is 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methoxyphenyl)pyrimidin-2-amine is COc1ccc(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CN(C)C)ccn34)n2)cc1.
What is the InChIKey of 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methoxyphenyl)pyrimidin-2-amine?
The InChIKey is ZGSSYECQOXYONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN6O/c1-33(2)17-18-13-15-34-24(16-18)32-25(19-4-6-20(28)7-5-19)26(34)23-12-14-29-27(31-23)30-21-8-10-22(35-3)11-9-21/h4-16H,17H2,1-3H3,(H,29,30,31).
What are the key properties of 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methoxyphenyl)pyrimidin-2-amine?
4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methoxyphenyl)pyrimidin-2-amine has a molecular weight of 468.54 g/mol, XLogP of 5.41, 7 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-(4-methoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 58824495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).