4-[2-(4-fluorophenyl)-7-[[methyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine

C23H25FN6 — CID 58824614

IUPAC4-[2-(4-fluorophenyl)-7-[[methyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine
SMILESCCCN(C)Cc1ccn2c(-c3ccnc(NC)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C23H25FN6/c1-4-12-29(3)15-16-10-13-30-20(14-16)28-21(17-5-7-18(24)8-6-17)22(30)19-9-11-26-23(25-2)27-19/h5-11,13-14H,4,12,15H2,1-3H3,(H,25,26,27)
InChIKeyZPHBWPLVPKQSEZ-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.48
Rot. Bonds7

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

4-[2-(4-fluorophenyl)-7-[[methyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine (PubChem CID 58824614) has the molecular formula C23H25FN6 and a molecular weight of 404.49 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-7-[[methyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-7-[[methyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine
PubChem CID58824614
Molecular FormulaC23H25FN6
Molecular Weight404.49 g/mol
Exact Mass404.21
IUPAC Name4-[2-(4-fluorophenyl)-7-[[methyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine
SMILESCCCN(C)Cc1ccn2c(-c3ccnc(NC)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C23H25FN6/c1-4-12-29(3)15-16-10-13-30-20(14-16)28-21(17-5-7-18(24)8-6-17)22(30)19-9-11-26-23(25-2)27-19/h5-11,13-14H,4,12,15H2,1-3H3,(H,25,26,27)
InChIKeyZPHBWPLVPKQSEZ-UHFFFAOYSA-N
XLogP4.48
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-7-[[methyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine?
The IUPAC name of 4-[2-(4-fluorophenyl)-7-[[methyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine (CID 58824614) is 4-[2-(4-fluorophenyl)-7-[[methyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-7-[[methyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-[2-(4-fluorophenyl)-7-[[methyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine is CCCN(C)Cc1ccn2c(-c3ccnc(NC)n3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-7-[[methyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine?
The InChIKey is ZPHBWPLVPKQSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6/c1-4-12-29(3)15-16-10-13-30-20(14-16)28-21(17-5-7-18(24)8-6-17)22(30)19-9-11-26-23(25-2)27-19/h5-11,13-14H,4,12,15H2,1-3H3,(H,25,26,27).
What are the key properties of 4-[2-(4-fluorophenyl)-7-[[methyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine?
4-[2-(4-fluorophenyl)-7-[[methyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine has a molecular weight of 404.49 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-7-[[methyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 58824614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).