ethyl 1-[[6-[(Z)-prop-1-enyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate

C17H18N4O2 — CID 139505017

IUPACethyl 1-[[6-[(Z)-prop-1-enyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate
SMILESC/C=C\c1ccc2nc(Cn3cc(C(=O)OCC)cn3)cn2c1
InChIInChI=1S/C17H18N4O2/c1-3-5-13-6-7-16-19-15(11-20(16)9-13)12-21-10-14(8-18-21)17(22)23-4-2/h3,5-11H,4,12H2,1-2H3/b5-3-
InChIKeyJOCXMSHXJPFCBT-HYXAFXHYSA-N
MW310.36 g/mol
LogP2.79
Rot. Bonds5

About ethyl 1-[[6-[(Z)-prop-1-enyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate

ethyl 1-[[6-[(Z)-prop-1-enyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate (PubChem CID 139505017) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is ethyl 1-[[6-[(Z)-prop-1-enyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[6-[(Z)-prop-1-enyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate
PubChem CID139505017
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Nameethyl 1-[[6-[(Z)-prop-1-enyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate
SMILESC/C=C\c1ccc2nc(Cn3cc(C(=O)OCC)cn3)cn2c1
InChIInChI=1S/C17H18N4O2/c1-3-5-13-6-7-16-19-15(11-20(16)9-13)12-21-10-14(8-18-21)17(22)23-4-2/h3,5-11H,4,12H2,1-2H3/b5-3-
InChIKeyJOCXMSHXJPFCBT-HYXAFXHYSA-N
XLogP2.79
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[[6-[(Z)-prop-1-enyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate with MolForge

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Related Compounds

ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
CID 139487437
ethane;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
CID 156707965
ethyl 1-[[6-(2-methylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate
CID 139488143
ethyl 1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
CID 139488029
(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate
CID 38299688
ethyl 1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-carboxylate
CID 107043996
6-[(4-ethoxycarbonylpyrazol-1-yl)methyl]pyridine-3-carboxylic acid
CID 81497892
4-[(4-ethoxycarbonylpyrazol-1-yl)methyl]benzoic acid
CID 58081217
ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-cyclopropyl-3-pyridinyl]methyl]pyrazole-4-carboxylate
CID 156826518
ethyl 1-[(2-aminophenyl)methyl]pyrazole-4-carboxylate
CID 81498202
ethyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate
CID 52560491
ethyl 1-[[5-(3-azabicyclo[3.1.0]hexan-3-yl)-6-cyano-2-pyridinyl]methyl]pyrazole-4-carboxylate
CID 156826563

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[6-[(Z)-prop-1-enyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[[6-[(Z)-prop-1-enyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate (CID 139505017) is ethyl 1-[[6-[(Z)-prop-1-enyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[[6-[(Z)-prop-1-enyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[[6-[(Z)-prop-1-enyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate is C/C=C\c1ccc2nc(Cn3cc(C(=O)OCC)cn3)cn2c1.
What is the InChIKey of ethyl 1-[[6-[(Z)-prop-1-enyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate?
The InChIKey is JOCXMSHXJPFCBT-HYXAFXHYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-3-5-13-6-7-16-19-15(11-20(16)9-13)12-21-10-14(8-18-21)17(22)23-4-2/h3,5-11H,4,12H2,1-2H3/b5-3-.
What are the key properties of ethyl 1-[[6-[(Z)-prop-1-enyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate?
ethyl 1-[[6-[(Z)-prop-1-enyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate has a molecular weight of 310.36 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[6-[(Z)-prop-1-enyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate is sourced from PubChem (CID 139505017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).