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

C27H24F2N6 — CID 24744422

IUPAC4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine
SMILESCN(C)Cc1ccn2c(-c3ccnc(NCc4ccc(F)cc4)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C27H24F2N6/c1-34(2)17-19-12-14-35-24(15-19)33-25(20-5-9-22(29)10-6-20)26(35)23-11-13-30-27(32-23)31-16-18-3-7-21(28)8-4-18/h3-15H,16-17H2,1-2H3,(H,30,31,32)
InChIKeyLGOYOPVNRQTDRF-UHFFFAOYSA-N
MW470.53 g/mol
LogP5.41
Rot. Bonds7

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

4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine (PubChem CID 24744422) has the molecular formula C27H24F2N6 and a molecular weight of 470.53 g/mol. Its IUPAC name is 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine
PubChem CID24744422
Molecular FormulaC27H24F2N6
Molecular Weight470.53 g/mol
Exact Mass470.20
IUPAC Name4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine
SMILESCN(C)Cc1ccn2c(-c3ccnc(NCc4ccc(F)cc4)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C27H24F2N6/c1-34(2)17-19-12-14-35-24(15-19)33-25(20-5-9-22(29)10-6-20)26(35)23-11-13-30-27(32-23)31-16-18-3-7-21(28)8-4-18/h3-15H,16-17H2,1-2H3,(H,30,31,32)
InChIKeyLGOYOPVNRQTDRF-UHFFFAOYSA-N
XLogP5.41
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.53
LogP ≤ 55.41
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-fluorophenyl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine (CID 24744422) is 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)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-fluorophenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine is CN(C)Cc1ccn2c(-c3ccnc(NCc4ccc(F)cc4)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-[(4-fluorophenyl)methyl]pyrimidin-2-amine?
The InChIKey is LGOYOPVNRQTDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N6/c1-34(2)17-19-12-14-35-24(15-19)33-25(20-5-9-22(29)10-6-20)26(35)23-11-13-30-27(32-23)31-16-18-3-7-21(28)8-4-18/h3-15H,16-17H2,1-2H3,(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-fluorophenyl)methyl]pyrimidin-2-amine?
4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine has a molecular weight of 470.53 g/mol, XLogP of 5.41, 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-fluorophenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 24744422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).