6-chloro-7-fluoro-3-[2-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine

C20H20ClFN8 — CID 139365080

IUPAC6-chloro-7-fluoro-3-[2-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine
SMILESCC1CN(c2nccc(-c3cnc4cc(F)c(Cl)cn34)n2)C(C)C(c2cnc[nH]2)N1
InChIInChI=1S/C20H20ClFN8/c1-11-8-29(12(2)19(27-11)16-6-23-10-26-16)20-24-4-3-15(28-20)17-7-25-18-5-14(22)13(21)9-30(17)18/h3-7,9-12,19,27H,8H2,1-2H3,(H,23,26)
InChIKeyLJUOKVOYMKWTKZ-UHFFFAOYSA-N
MW426.89 g/mol
LogP3.23
Rot. Bonds3

About 6-chloro-7-fluoro-3-[2-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine

6-chloro-7-fluoro-3-[2-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine (PubChem CID 139365080) has the molecular formula C20H20ClFN8 and a molecular weight of 426.89 g/mol. Its IUPAC name is 6-chloro-7-fluoro-3-[2-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-chloro-7-fluoro-3-[2-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine
PubChem CID139365080
Molecular FormulaC20H20ClFN8
Molecular Weight426.89 g/mol
Exact Mass426.15
IUPAC Name6-chloro-7-fluoro-3-[2-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine
SMILESCC1CN(c2nccc(-c3cnc4cc(F)c(Cl)cn34)n2)C(C)C(c2cnc[nH]2)N1
InChIInChI=1S/C20H20ClFN8/c1-11-8-29(12(2)19(27-11)16-6-23-10-26-16)20-24-4-3-15(28-20)17-7-25-18-5-14(22)13(21)9-30(17)18/h3-7,9-12,19,27H,8H2,1-2H3,(H,23,26)
InChIKeyLJUOKVOYMKWTKZ-UHFFFAOYSA-N
XLogP3.23
TPSA87.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.89
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-fluoro-3-[2-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-chloro-7-fluoro-3-[2-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine (CID 139365080) is 6-chloro-7-fluoro-3-[2-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-chloro-7-fluoro-3-[2-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-chloro-7-fluoro-3-[2-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine is CC1CN(c2nccc(-c3cnc4cc(F)c(Cl)cn34)n2)C(C)C(c2cnc[nH]2)N1.
What is the InChIKey of 6-chloro-7-fluoro-3-[2-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine?
The InChIKey is LJUOKVOYMKWTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN8/c1-11-8-29(12(2)19(27-11)16-6-23-10-26-16)20-24-4-3-15(28-20)17-7-25-18-5-14(22)13(21)9-30(17)18/h3-7,9-12,19,27H,8H2,1-2H3,(H,23,26).
What are the key properties of 6-chloro-7-fluoro-3-[2-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine?
6-chloro-7-fluoro-3-[2-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine has a molecular weight of 426.89 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluoro-3-[2-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 139365080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).