ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1,4-dihydropyrimidine-5-carboxylate

C14H12ClFN4O2 — CID 123386943

IUPACethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1,4-dihydropyrimidine-5-carboxylate
SMILESCCOC(=O)C1=CNC(c2cnc3ccc(F)cn23)=NC1Cl
InChIInChI=1S/C14H12ClFN4O2/c1-2-22-14(21)9-5-18-13(19-12(9)15)10-6-17-11-4-3-8(16)7-20(10)11/h3-7,12H,2H2,1H3,(H,18,19)
InChIKeySGCIVOVWRPIPCO-UHFFFAOYSA-N
MW322.73 g/mol
LogP1.84
Rot. Bonds3

About ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1,4-dihydropyrimidine-5-carboxylate

ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1,4-dihydropyrimidine-5-carboxylate (PubChem CID 123386943) has the molecular formula C14H12ClFN4O2 and a molecular weight of 322.73 g/mol. Its IUPAC name is ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1,4-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1,4-dihydropyrimidine-5-carboxylate
PubChem CID123386943
Molecular FormulaC14H12ClFN4O2
Molecular Weight322.73 g/mol
Exact Mass322.06
IUPAC Nameethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1,4-dihydropyrimidine-5-carboxylate
SMILESCCOC(=O)C1=CNC(c2cnc3ccc(F)cn23)=NC1Cl
InChIInChI=1S/C14H12ClFN4O2/c1-2-22-14(21)9-5-18-13(19-12(9)15)10-6-17-11-4-3-8(16)7-20(10)11/h3-7,12H,2H2,1H3,(H,18,19)
InChIKeySGCIVOVWRPIPCO-UHFFFAOYSA-N
XLogP1.84
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.73
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

ethyl 6-fluoro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate
CID 118674805
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 118164228
ethyl 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-fluorobenzoate
CID 22032276
ethyl 2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoate
CID 86692658
ethyl (4R)-4-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
CID 141393746
ethyl 4-chloro-2-(6-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate
CID 163718815
ethyl 6-fluoro-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate
CID 82356768
ethyl 4-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]amino]cyclohexane-1-carboxylate
CID 67123862
ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate;ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[(2R)-2-(5-fluoro-2-pyridinyl)propyl]pyrimidine-5-carboxylate;(1S)-1-(5-fluoro-2-pyridinyl)ethanamine
CID 158528990
6-fluoroimidazo[1,2-a]pyridine-3-carbohydrazide
CID 162420999
ethyl 7-fluoroimidazo[1,2-a]pyridine-3-carboxylate
CID 67259301
ethyl 6-iodoimidazo[1,2-a]pyridine-3-carboxylate
CID 69203579

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1,4-dihydropyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1,4-dihydropyrimidine-5-carboxylate (CID 123386943) is ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1,4-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1,4-dihydropyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1,4-dihydropyrimidine-5-carboxylate is CCOC(=O)C1=CNC(c2cnc3ccc(F)cn23)=NC1Cl.
What is the InChIKey of ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1,4-dihydropyrimidine-5-carboxylate?
The InChIKey is SGCIVOVWRPIPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN4O2/c1-2-22-14(21)9-5-18-13(19-12(9)15)10-6-17-11-4-3-8(16)7-20(10)11/h3-7,12H,2H2,1H3,(H,18,19).
What are the key properties of ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1,4-dihydropyrimidine-5-carboxylate?
ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1,4-dihydropyrimidine-5-carboxylate has a molecular weight of 322.73 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1,4-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 123386943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).