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

C22H23FN6 — CID 24746214

IUPAC4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-ethylpyrimidin-2-amine
SMILESCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C)ccn23)n1
InChIInChI=1S/C22H23FN6/c1-4-24-22-25-11-9-18(26-22)21-20(16-5-7-17(23)8-6-16)27-19-13-15(14-28(2)3)10-12-29(19)21/h5-13H,4,14H2,1-3H3,(H,24,25,26)
InChIKeyUIXNXUGFCVCULW-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.09
Rot. Bonds6

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

4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-ethylpyrimidin-2-amine (PubChem CID 24746214) has the molecular formula C22H23FN6 and a molecular weight of 390.47 g/mol. Its IUPAC name is 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-ethylpyrimidin-2-amine
PubChem CID24746214
Molecular FormulaC22H23FN6
Molecular Weight390.47 g/mol
Exact Mass390.20
IUPAC Name4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-ethylpyrimidin-2-amine
SMILESCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C)ccn23)n1
InChIInChI=1S/C22H23FN6/c1-4-24-22-25-11-9-18(26-22)21-20(16-5-7-17(23)8-6-16)27-19-13-15(14-28(2)3)10-12-29(19)21/h5-13H,4,14H2,1-3H3,(H,24,25,26)
InChIKeyUIXNXUGFCVCULW-UHFFFAOYSA-N
XLogP4.09
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.09
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-ethylpyrimidin-2-amine?
The IUPAC name of 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-ethylpyrimidin-2-amine (CID 24746214) is 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-ethylpyrimidin-2-amine.
What is the SMILES notation for 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-ethylpyrimidin-2-amine?
The canonical SMILES for 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-ethylpyrimidin-2-amine is CCNc1nccc(-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-ethylpyrimidin-2-amine?
The InChIKey is UIXNXUGFCVCULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6/c1-4-24-22-25-11-9-18(26-22)21-20(16-5-7-17(23)8-6-16)27-19-13-15(14-28(2)3)10-12-29(19)21/h5-13H,4,14H2,1-3H3,(H,24,25,26).
What are the key properties of 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-ethylpyrimidin-2-amine?
4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-ethylpyrimidin-2-amine has a molecular weight of 390.47 g/mol, XLogP of 4.09, 6 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-ethylpyrimidin-2-amine is sourced from PubChem (CID 24746214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).