ethyl 3-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-dihydrotriazole-5-carboxylate

C16H18FN5O2 — CID 153343819

IUPACethyl 3-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-dihydrotriazole-5-carboxylate
SMILESCCOC(=O)C1=CN(Cc2cn3c(F)c(C4CC4)ccc3n2)NN1
InChIInChI=1S/C16H18FN5O2/c1-2-24-16(23)13-9-21(20-19-13)7-11-8-22-14(18-11)6-5-12(15(22)17)10-3-4-10/h5-6,8-10,19-20H,2-4,7H2,1H3
InChIKeyZPNAVCBDLVFHSI-UHFFFAOYSA-N
MW331.35 g/mol
LogP1.58
Rot. Bonds5

About ethyl 3-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-dihydrotriazole-5-carboxylate

ethyl 3-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-dihydrotriazole-5-carboxylate (PubChem CID 153343819) has the molecular formula C16H18FN5O2 and a molecular weight of 331.35 g/mol. Its IUPAC name is ethyl 3-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-dihydrotriazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-dihydrotriazole-5-carboxylate
PubChem CID153343819
Molecular FormulaC16H18FN5O2
Molecular Weight331.35 g/mol
Exact Mass331.14
IUPAC Nameethyl 3-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-dihydrotriazole-5-carboxylate
SMILESCCOC(=O)C1=CN(Cc2cn3c(F)c(C4CC4)ccc3n2)NN1
InChIInChI=1S/C16H18FN5O2/c1-2-24-16(23)13-9-21(20-19-13)7-11-8-22-14(18-11)6-5-12(15(22)17)10-3-4-10/h5-6,8-10,19-20H,2-4,7H2,1H3
InChIKeyZPNAVCBDLVFHSI-UHFFFAOYSA-N
XLogP1.58
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 3-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-dihydrotriazole-5-carboxylate?
The IUPAC name of ethyl 3-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-dihydrotriazole-5-carboxylate (CID 153343819) is ethyl 3-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-dihydrotriazole-5-carboxylate.
What is the SMILES notation for ethyl 3-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-dihydrotriazole-5-carboxylate?
The canonical SMILES for ethyl 3-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-dihydrotriazole-5-carboxylate is CCOC(=O)C1=CN(Cc2cn3c(F)c(C4CC4)ccc3n2)NN1.
What is the InChIKey of ethyl 3-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-dihydrotriazole-5-carboxylate?
The InChIKey is ZPNAVCBDLVFHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O2/c1-2-24-16(23)13-9-21(20-19-13)7-11-8-22-14(18-11)6-5-12(15(22)17)10-3-4-10/h5-6,8-10,19-20H,2-4,7H2,1H3.
What are the key properties of ethyl 3-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-dihydrotriazole-5-carboxylate?
ethyl 3-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-dihydrotriazole-5-carboxylate has a molecular weight of 331.35 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-dihydrotriazole-5-carboxylate is sourced from PubChem (CID 153343819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).