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

C27H24ClFN6 — CID 24744270

IUPACN-[(3-chlorophenyl)methyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCN(C)Cc1ccn2c(-c3ccnc(NCc4cccc(Cl)c4)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C27H24ClFN6/c1-34(2)17-19-11-13-35-24(15-19)33-25(20-6-8-22(29)9-7-20)26(35)23-10-12-30-27(32-23)31-16-18-4-3-5-21(28)14-18/h3-15H,16-17H2,1-2H3,(H,30,31,32)
InChIKeyWOWVVRMVWVSWPY-UHFFFAOYSA-N
MW486.98 g/mol
LogP5.92
Rot. Bonds7

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

N-[(3-chlorophenyl)methyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 24744270) has the molecular formula C27H24ClFN6 and a molecular weight of 486.98 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
PubChem CID24744270
Molecular FormulaC27H24ClFN6
Molecular Weight486.98 g/mol
Exact Mass486.17
IUPAC NameN-[(3-chlorophenyl)methyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCN(C)Cc1ccn2c(-c3ccnc(NCc4cccc(Cl)c4)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C27H24ClFN6/c1-34(2)17-19-11-13-35-24(15-19)33-25(20-6-8-22(29)9-7-20)26(35)23-10-12-30-27(32-23)31-16-18-4-3-5-21(28)14-18/h3-15H,16-17H2,1-2H3,(H,30,31,32)
InChIKeyWOWVVRMVWVSWPY-UHFFFAOYSA-N
XLogP5.92
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.98
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (CID 24744270) is N-[(3-chlorophenyl)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-[(3-chlorophenyl)methyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is CN(C)Cc1ccn2c(-c3ccnc(NCc4cccc(Cl)c4)n3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is WOWVVRMVWVSWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClFN6/c1-34(2)17-19-11-13-35-24(15-19)33-25(20-6-8-22(29)9-7-20)26(35)23-10-12-30-27(32-23)31-16-18-4-3-5-21(28)14-18/h3-15H,16-17H2,1-2H3,(H,30,31,32).
What are the key properties of N-[(3-chlorophenyl)methyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
N-[(3-chlorophenyl)methyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 486.98 g/mol, XLogP of 5.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 24744270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).