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

C28H27FN6 — CID 24744423

IUPAC4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methylphenyl)methyl]pyrimidin-2-amine
SMILESCc1ccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CN(C)C)ccn34)n2)cc1
InChIInChI=1S/C28H27FN6/c1-19-4-6-20(7-5-19)17-31-28-30-14-12-24(32-28)27-26(22-8-10-23(29)11-9-22)33-25-16-21(18-34(2)3)13-15-35(25)27/h4-16H,17-18H2,1-3H3,(H,30,31,32)
InChIKeyNEBRXNXVUOFFFB-UHFFFAOYSA-N
MW466.56 g/mol
LogP5.58
Rot. Bonds7

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

4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methylphenyl)methyl]pyrimidin-2-amine (PubChem CID 24744423) has the molecular formula C28H27FN6 and a molecular weight of 466.56 g/mol. Its IUPAC name is 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methylphenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methylphenyl)methyl]pyrimidin-2-amine
PubChem CID24744423
Molecular FormulaC28H27FN6
Molecular Weight466.56 g/mol
Exact Mass466.23
IUPAC Name4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methylphenyl)methyl]pyrimidin-2-amine
SMILESCc1ccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CN(C)C)ccn34)n2)cc1
InChIInChI=1S/C28H27FN6/c1-19-4-6-20(7-5-19)17-31-28-30-14-12-24(32-28)27-26(22-8-10-23(29)11-9-22)33-25-16-21(18-34(2)3)13-15-35(25)27/h4-16H,17-18H2,1-3H3,(H,30,31,32)
InChIKeyNEBRXNXVUOFFFB-UHFFFAOYSA-N
XLogP5.58
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.56
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-methylphenyl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methylphenyl)methyl]pyrimidin-2-amine (CID 24744423) is 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methylphenyl)methyl]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-methylphenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methylphenyl)methyl]pyrimidin-2-amine is Cc1ccc(CNc2nccc(-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-methylphenyl)methyl]pyrimidin-2-amine?
The InChIKey is NEBRXNXVUOFFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN6/c1-19-4-6-20(7-5-19)17-31-28-30-14-12-24(32-28)27-26(22-8-10-23(29)11-9-22)33-25-16-21(18-34(2)3)13-15-35(25)27/h4-16H,17-18H2,1-3H3,(H,30,31,32).
What are the key properties of 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methylphenyl)methyl]pyrimidin-2-amine?
4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methylphenyl)methyl]pyrimidin-2-amine has a molecular weight of 466.56 g/mol, XLogP of 5.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 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-methylphenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 24744423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).