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

C25H22FN7 — CID 24745530

IUPAC4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-pyridin-2-ylpyrimidin-2-amine
SMILESCN(C)Cc1ccn2c(-c3ccnc(Nc4ccccn4)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C25H22FN7/c1-32(2)16-17-11-14-33-22(15-17)31-23(18-6-8-19(26)9-7-18)24(33)20-10-13-28-25(29-20)30-21-5-3-4-12-27-21/h3-15H,16H2,1-2H3,(H,27,28,29,30)
InChIKeyKOHXYIVZWQWNHC-UHFFFAOYSA-N
MW439.50 g/mol
LogP4.80
Rot. Bonds6

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

4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-pyridin-2-ylpyrimidin-2-amine (PubChem CID 24745530) has the molecular formula C25H22FN7 and a molecular weight of 439.50 g/mol. Its IUPAC name is 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-pyridin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-pyridin-2-ylpyrimidin-2-amine
PubChem CID24745530
Molecular FormulaC25H22FN7
Molecular Weight439.50 g/mol
Exact Mass439.19
IUPAC Name4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-pyridin-2-ylpyrimidin-2-amine
SMILESCN(C)Cc1ccn2c(-c3ccnc(Nc4ccccn4)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C25H22FN7/c1-32(2)16-17-11-14-33-22(15-17)31-23(18-6-8-19(26)9-7-18)24(33)20-10-13-28-25(29-20)30-21-5-3-4-12-27-21/h3-15H,16H2,1-2H3,(H,27,28,29,30)
InChIKeyKOHXYIVZWQWNHC-UHFFFAOYSA-N
XLogP4.80
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 54.80
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-pyridin-2-ylpyrimidin-2-amine?
The IUPAC name of 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-pyridin-2-ylpyrimidin-2-amine (CID 24745530) is 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-pyridin-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-pyridin-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-pyridin-2-ylpyrimidin-2-amine is CN(C)Cc1ccn2c(-c3ccnc(Nc4ccccn4)n3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-pyridin-2-ylpyrimidin-2-amine?
The InChIKey is KOHXYIVZWQWNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN7/c1-32(2)16-17-11-14-33-22(15-17)31-23(18-6-8-19(26)9-7-18)24(33)20-10-13-28-25(29-20)30-21-5-3-4-12-27-21/h3-15H,16H2,1-2H3,(H,27,28,29,30).
What are the key properties of 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-pyridin-2-ylpyrimidin-2-amine?
4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-pyridin-2-ylpyrimidin-2-amine has a molecular weight of 439.50 g/mol, XLogP of 4.80, 6 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-pyridin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 24745530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).