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

C27H23F3N6 — CID 24744104

IUPACN-[(2,4-difluorophenyl)methyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCN(C)Cc1ccn2c(-c3ccnc(NCc4ccc(F)cc4F)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C27H23F3N6/c1-35(2)16-17-10-12-36-24(13-17)34-25(18-3-6-20(28)7-4-18)26(36)23-9-11-31-27(33-23)32-15-19-5-8-21(29)14-22(19)30/h3-14H,15-16H2,1-2H3,(H,31,32,33)
InChIKeyRYAUKJBPYVTWGW-UHFFFAOYSA-N
MW488.52 g/mol
LogP5.55
Rot. Bonds7

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

N-[(2,4-difluorophenyl)methyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 24744104) has the molecular formula C27H23F3N6 and a molecular weight of 488.52 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
PubChem CID24744104
Molecular FormulaC27H23F3N6
Molecular Weight488.52 g/mol
Exact Mass488.19
IUPAC NameN-[(2,4-difluorophenyl)methyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCN(C)Cc1ccn2c(-c3ccnc(NCc4ccc(F)cc4F)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C27H23F3N6/c1-35(2)16-17-10-12-36-24(13-17)34-25(18-3-6-20(28)7-4-18)26(36)23-9-11-31-27(33-23)32-15-19-5-8-21(29)14-22(19)30/h3-14H,15-16H2,1-2H3,(H,31,32,33)
InChIKeyRYAUKJBPYVTWGW-UHFFFAOYSA-N
XLogP5.55
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.52
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (CID 24744104) is N-[(2,4-difluorophenyl)methyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is CN(C)Cc1ccn2c(-c3ccnc(NCc4ccc(F)cc4F)n3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is RYAUKJBPYVTWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N6/c1-35(2)16-17-10-12-36-24(13-17)34-25(18-3-6-20(28)7-4-18)26(36)23-9-11-31-27(33-23)32-15-19-5-8-21(29)14-22(19)30/h3-14H,15-16H2,1-2H3,(H,31,32,33).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
N-[(2,4-difluorophenyl)methyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 488.52 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 24744104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).