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

C26H26FN7S — CID 58824700

IUPAC4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine
SMILESCc1nc(C(C)Nc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CN(C)C)ccn34)n2)cs1
InChIInChI=1S/C26H26FN7S/c1-16(22-15-35-17(2)30-22)29-26-28-11-9-21(31-26)25-24(19-5-7-20(27)8-6-19)32-23-13-18(14-33(3)4)10-12-34(23)25/h5-13,15-16H,14H2,1-4H3,(H,28,29,31)
InChIKeyAIFXVJVFOGCLJM-UHFFFAOYSA-N
MW487.61 g/mol
LogP5.60
Rot. Bonds7

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

4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine (PubChem CID 58824700) has the molecular formula C26H26FN7S and a molecular weight of 487.61 g/mol. Its IUPAC name is 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine
PubChem CID58824700
Molecular FormulaC26H26FN7S
Molecular Weight487.61 g/mol
Exact Mass487.20
IUPAC Name4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine
SMILESCc1nc(C(C)Nc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CN(C)C)ccn34)n2)cs1
InChIInChI=1S/C26H26FN7S/c1-16(22-15-35-17(2)30-22)29-26-28-11-9-21(31-26)25-24(19-5-7-20(27)8-6-19)32-23-13-18(14-33(3)4)10-12-34(23)25/h5-13,15-16H,14H2,1-4H3,(H,28,29,31)
InChIKeyAIFXVJVFOGCLJM-UHFFFAOYSA-N
XLogP5.60
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.61
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine with MolForge

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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-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine (CID 58824700) is 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine is Cc1nc(C(C)Nc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CN(C)C)ccn34)n2)cs1.
What is the InChIKey of 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine?
The InChIKey is AIFXVJVFOGCLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN7S/c1-16(22-15-35-17(2)30-22)29-26-28-11-9-21(31-26)25-24(19-5-7-20(27)8-6-19)32-23-13-18(14-33(3)4)10-12-34(23)25/h5-13,15-16H,14H2,1-4H3,(H,28,29,31).
What are the key properties of 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine?
4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine has a molecular weight of 487.61 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 8 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-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 58824700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).