ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(4-fluorophenyl)butylamino]pyrimidine-5-carboxylate

C24H23F2N5O2 — CID 77482152

IUPACethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(4-fluorophenyl)butylamino]pyrimidine-5-carboxylate
SMILESCCCC(Nc1nc(-c2cnc3ccc(F)cn23)ncc1C(=O)OCC)c1ccc(F)cc1
InChIInChI=1S/C24H23F2N5O2/c1-3-5-19(15-6-8-16(25)9-7-15)29-22-18(24(32)33-4-2)12-28-23(30-22)20-13-27-21-11-10-17(26)14-31(20)21/h6-14,19H,3-5H2,1-2H3,(H,28,29,30)
InChIKeyRVSWOIJCDVXGDT-UHFFFAOYSA-N
MW451.48 g/mol
LogP5.20
Rot. Bonds8

About ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(4-fluorophenyl)butylamino]pyrimidine-5-carboxylate

ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(4-fluorophenyl)butylamino]pyrimidine-5-carboxylate (PubChem CID 77482152) has the molecular formula C24H23F2N5O2 and a molecular weight of 451.48 g/mol. Its IUPAC name is ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(4-fluorophenyl)butylamino]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(4-fluorophenyl)butylamino]pyrimidine-5-carboxylate
PubChem CID77482152
Molecular FormulaC24H23F2N5O2
Molecular Weight451.48 g/mol
Exact Mass451.18
IUPAC Nameethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(4-fluorophenyl)butylamino]pyrimidine-5-carboxylate
SMILESCCCC(Nc1nc(-c2cnc3ccc(F)cn23)ncc1C(=O)OCC)c1ccc(F)cc1
InChIInChI=1S/C24H23F2N5O2/c1-3-5-19(15-6-8-16(25)9-7-15)29-22-18(24(32)33-4-2)12-28-23(30-22)20-13-27-21-11-10-17(26)14-31(20)21/h6-14,19H,3-5H2,1-2H3,(H,28,29,30)
InChIKeyRVSWOIJCDVXGDT-UHFFFAOYSA-N
XLogP5.20
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.48
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(4-fluorophenyl)butylamino]pyrimidine-5-carboxylate with MolForge

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Related Compounds

{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}ethylamine
CID 24746214
2-{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamino}ethanol
CID 24746215
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}propylamine
CID 24746217
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(2-methoxyethyl)amine
CID 24746218
3-{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamino}propan-1-ol
CID 24746381
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(3-methoxypropyl)amine
CID 24746385
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}pentylamine
CID 24746540
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}hexylamine
CID 24746542
4-(2-(4-Fluorophenyl)-7-{[(2-methoxyethyl)methylamino] methyl}imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-ylamine
CID 24887881
N-(3-fluorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 44137900
N-(2,5-difluorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 44137901
2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]ethanol
CID 44431983

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(4-fluorophenyl)butylamino]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(4-fluorophenyl)butylamino]pyrimidine-5-carboxylate (CID 77482152) is ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(4-fluorophenyl)butylamino]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(4-fluorophenyl)butylamino]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(4-fluorophenyl)butylamino]pyrimidine-5-carboxylate is CCCC(Nc1nc(-c2cnc3ccc(F)cn23)ncc1C(=O)OCC)c1ccc(F)cc1.
What is the InChIKey of ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(4-fluorophenyl)butylamino]pyrimidine-5-carboxylate?
The InChIKey is RVSWOIJCDVXGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O2/c1-3-5-19(15-6-8-16(25)9-7-15)29-22-18(24(32)33-4-2)12-28-23(30-22)20-13-27-21-11-10-17(26)14-31(20)21/h6-14,19H,3-5H2,1-2H3,(H,28,29,30).
What are the key properties of ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(4-fluorophenyl)butylamino]pyrimidine-5-carboxylate?
ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(4-fluorophenyl)butylamino]pyrimidine-5-carboxylate has a molecular weight of 451.48 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(4-fluorophenyl)butylamino]pyrimidine-5-carboxylate is sourced from PubChem (CID 77482152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).