ethyl 1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate

C17H17FN4O2 — CID 139488029

IUPACethyl 1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(Cc2cn3c(F)c(C4CC4)ccc3n2)c1
InChIInChI=1S/C17H17FN4O2/c1-2-24-17(23)12-7-19-21(8-12)9-13-10-22-15(20-13)6-5-14(16(22)18)11-3-4-11/h5-8,10-11H,2-4,9H2,1H3
InChIKeyHRBMMJVJNMFGMP-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.77
Rot. Bonds5

About ethyl 1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate

ethyl 1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate (PubChem CID 139488029) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is ethyl 1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
PubChem CID139488029
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Nameethyl 1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(Cc2cn3c(F)c(C4CC4)ccc3n2)c1
InChIInChI=1S/C17H17FN4O2/c1-2-24-17(23)12-7-19-21(8-12)9-13-10-22-15(20-13)6-5-14(16(22)18)11-3-4-11/h5-8,10-11H,2-4,9H2,1H3
InChIKeyHRBMMJVJNMFGMP-UHFFFAOYSA-N
XLogP2.77
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate (CID 139488029) is ethyl 1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(Cc2cn3c(F)c(C4CC4)ccc3n2)c1.
What is the InChIKey of ethyl 1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate?
The InChIKey is HRBMMJVJNMFGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c1-2-24-17(23)12-7-19-21(8-12)9-13-10-22-15(20-13)6-5-14(16(22)18)11-3-4-11/h5-8,10-11H,2-4,9H2,1H3.
What are the key properties of ethyl 1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate?
ethyl 1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate has a molecular weight of 328.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate is sourced from PubChem (CID 139488029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).