7-chloro-5-(2-methylpiperidin-1-yl)-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidine

C18H16ClF3N4 — CID 23018279

IUPAC7-chloro-5-(2-methylpiperidin-1-yl)-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidine
SMILESCC1CCCCN1c1c(-c2c(F)cc(F)cc2F)c(Cl)nc2nccn12
InChIInChI=1S/C18H16ClF3N4/c1-10-4-2-3-6-25(10)17-15(14-12(21)8-11(20)9-13(14)22)16(19)24-18-23-5-7-26(17)18/h5,7-10H,2-4,6H2,1H3
InChIKeyGHCIHWTZJVNLKG-UHFFFAOYSA-N
MW380.80 g/mol
LogP4.85
Rot. Bonds2

About 7-chloro-5-(2-methylpiperidin-1-yl)-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidine

7-chloro-5-(2-methylpiperidin-1-yl)-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidine (PubChem CID 23018279) has the molecular formula C18H16ClF3N4 and a molecular weight of 380.80 g/mol. Its IUPAC name is 7-chloro-5-(2-methylpiperidin-1-yl)-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-(2-methylpiperidin-1-yl)-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidine
PubChem CID23018279
Molecular FormulaC18H16ClF3N4
Molecular Weight380.80 g/mol
Exact Mass380.10
IUPAC Name7-chloro-5-(2-methylpiperidin-1-yl)-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidine
SMILESCC1CCCCN1c1c(-c2c(F)cc(F)cc2F)c(Cl)nc2nccn12
InChIInChI=1S/C18H16ClF3N4/c1-10-4-2-3-6-25(10)17-15(14-12(21)8-11(20)9-13(14)22)16(19)24-18-23-5-7-26(17)18/h5,7-10H,2-4,6H2,1H3
InChIKeyGHCIHWTZJVNLKG-UHFFFAOYSA-N
XLogP4.85
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.80
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-6-(2,4,6-trifluorophenyl)-N-(trimethylsilylmethyl)imidazo[1,2-a]pyrimidin-5-amine
CID 58941474
7-chloro-6-(2,4,6-trifluorophenyl)-N-(1-trimethylsilylethyl)imidazo[1,2-a]pyrimidin-5-amine
CID 11350065
4-[7-methyl-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidin-5-yl]morpholine
CID 23018314
7-(8-azabicyclo[3.2.1]octan-8-yl)-5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 166799903
N-tert-butyl-5-chloro-N-cyclohexyl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 57247384
5-chloro-7-(4-methylpiperidin-1-yl)-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine;methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate
CID 11285564
6-fluoro-7-methyl-5-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine
CID 162521836
4,6-dichloro-2-[(2S)-2-methylpyrrolidin-1-yl]pyrimidine
CID 59168274
4-chloro-6-(2-methylpiperidin-1-yl)pyrimidine
CID 53410093
5-chloro-3-fluoro-2-(2-methylpyrrolidin-1-yl)pyridine
CID 79728793
2-chloro-6-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine
CID 102715411
5,7-dichloroimidazo[1,2-a]pyrimidine
CID 23125107

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(2-methylpiperidin-1-yl)-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 7-chloro-5-(2-methylpiperidin-1-yl)-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidine (CID 23018279) is 7-chloro-5-(2-methylpiperidin-1-yl)-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 7-chloro-5-(2-methylpiperidin-1-yl)-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 7-chloro-5-(2-methylpiperidin-1-yl)-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidine is CC1CCCCN1c1c(-c2c(F)cc(F)cc2F)c(Cl)nc2nccn12.
What is the InChIKey of 7-chloro-5-(2-methylpiperidin-1-yl)-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidine?
The InChIKey is GHCIHWTZJVNLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N4/c1-10-4-2-3-6-25(10)17-15(14-12(21)8-11(20)9-13(14)22)16(19)24-18-23-5-7-26(17)18/h5,7-10H,2-4,6H2,1H3.
What are the key properties of 7-chloro-5-(2-methylpiperidin-1-yl)-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidine?
7-chloro-5-(2-methylpiperidin-1-yl)-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidine has a molecular weight of 380.80 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(2-methylpiperidin-1-yl)-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 23018279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).