ethyl 5-(7-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methylpyrazole-3-carboxylate

C14H13FN4O2 — CID 66988702

IUPACethyl 5-(7-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cn3ccc(F)cc3n2)n(C)n1
InChIInChI=1S/C14H13FN4O2/c1-3-21-14(20)10-7-12(18(2)17-10)11-8-19-5-4-9(15)6-13(19)16-11/h4-8H,3H2,1-2H3
InChIKeyYDSUQOMNLAOUKA-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.05
Rot. Bonds3

About ethyl 5-(7-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methylpyrazole-3-carboxylate

ethyl 5-(7-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methylpyrazole-3-carboxylate (PubChem CID 66988702) has the molecular formula C14H13FN4O2 and a molecular weight of 288.28 g/mol. Its IUPAC name is ethyl 5-(7-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(7-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methylpyrazole-3-carboxylate
PubChem CID66988702
Molecular FormulaC14H13FN4O2
Molecular Weight288.28 g/mol
Exact Mass288.10
IUPAC Nameethyl 5-(7-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cn3ccc(F)cc3n2)n(C)n1
InChIInChI=1S/C14H13FN4O2/c1-3-21-14(20)10-7-12(18(2)17-10)11-8-19-5-4-9(15)6-13(19)16-11/h4-8H,3H2,1-2H3
InChIKeyYDSUQOMNLAOUKA-UHFFFAOYSA-N
XLogP2.05
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(7-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 46208539
ethyl 5-(3,4-difluorophenyl)-1-methylpyrazole-3-carboxylate
CID 42878867
(2-ethoxycarbonylimidazo[1,2-a]pyridin-7-yl)boronic acid
CID 167350393
ethyl 5-fluoro-1-methylpyrazole-3-carboxylate
CID 155722987
ethyl 5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 42878869
7-fluoroimidazo[1,2-a]pyridine-2-carbohydrazide
CID 162421007
ethyl 5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methylpyrazole-3-carboxylate
CID 118617465
ethyl 5-(3,4-dichlorophenyl)-1-methylpyrazole-3-carboxylate
CID 67452186
ethyl 7-fluoroimidazo[1,2-a]pyridine-3-carboxylate
CID 67259301
ethyl 5-(3,5-dichlorophenyl)-1-methylpyrazole-3-carboxylate
CID 75176283
ethyl 5-(3-bromophenyl)-1-methylpyrazole-3-carboxylate
CID 57428257
ethyl 1-[(3,5-difluorophenyl)methyl]pyrazole-3-carboxylate
CID 175872781

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(7-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methylpyrazole-3-carboxylate?
The IUPAC name of ethyl 5-(7-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methylpyrazole-3-carboxylate (CID 66988702) is ethyl 5-(7-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(7-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-(7-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methylpyrazole-3-carboxylate is CCOC(=O)c1cc(-c2cn3ccc(F)cc3n2)n(C)n1.
What is the InChIKey of ethyl 5-(7-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methylpyrazole-3-carboxylate?
The InChIKey is YDSUQOMNLAOUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2/c1-3-21-14(20)10-7-12(18(2)17-10)11-8-19-5-4-9(15)6-13(19)16-11/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 5-(7-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methylpyrazole-3-carboxylate?
ethyl 5-(7-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methylpyrazole-3-carboxylate has a molecular weight of 288.28 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(7-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methylpyrazole-3-carboxylate is sourced from PubChem (CID 66988702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).