methyl 4-[(7-cyano-2-pyridin-2-yl-5H-imidazo[1,2-b]pyrazol-3-yl)amino]benzoate

C19H14N6O2 — CID 67284094

IUPACmethyl 4-[(7-cyano-2-pyridin-2-yl-5H-imidazo[1,2-b]pyrazol-3-yl)amino]benzoate
SMILESCOC(=O)c1ccc(Nc2c(-c3ccccn3)nc3c(C#N)c[nH]n23)cc1
InChIInChI=1S/C19H14N6O2/c1-27-19(26)12-5-7-14(8-6-12)23-18-16(15-4-2-3-9-21-15)24-17-13(10-20)11-22-25(17)18/h2-9,11,22-23H,1H3
InChIKeyHDMXQJLLIMNUQI-UHFFFAOYSA-N
MW358.36 g/mol
LogP3.13
Rot. Bonds4

About methyl 4-[(7-cyano-2-pyridin-2-yl-5H-imidazo[1,2-b]pyrazol-3-yl)amino]benzoate

methyl 4-[(7-cyano-2-pyridin-2-yl-5H-imidazo[1,2-b]pyrazol-3-yl)amino]benzoate (PubChem CID 67284094) has the molecular formula C19H14N6O2 and a molecular weight of 358.36 g/mol. Its IUPAC name is methyl 4-[(7-cyano-2-pyridin-2-yl-5H-imidazo[1,2-b]pyrazol-3-yl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(7-cyano-2-pyridin-2-yl-5H-imidazo[1,2-b]pyrazol-3-yl)amino]benzoate
PubChem CID67284094
Molecular FormulaC19H14N6O2
Molecular Weight358.36 g/mol
Exact Mass358.12
IUPAC Namemethyl 4-[(7-cyano-2-pyridin-2-yl-5H-imidazo[1,2-b]pyrazol-3-yl)amino]benzoate
SMILESCOC(=O)c1ccc(Nc2c(-c3ccccn3)nc3c(C#N)c[nH]n23)cc1
InChIInChI=1S/C19H14N6O2/c1-27-19(26)12-5-7-14(8-6-12)23-18-16(15-4-2-3-9-21-15)24-17-13(10-20)11-22-25(17)18/h2-9,11,22-23H,1H3
InChIKeyHDMXQJLLIMNUQI-UHFFFAOYSA-N
XLogP3.13
TPSA108.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(7-cyano-2-pyridin-2-yl-5H-imidazo[1,2-b]pyrazol-3-yl)amino]benzoate?
The IUPAC name of methyl 4-[(7-cyano-2-pyridin-2-yl-5H-imidazo[1,2-b]pyrazol-3-yl)amino]benzoate (CID 67284094) is methyl 4-[(7-cyano-2-pyridin-2-yl-5H-imidazo[1,2-b]pyrazol-3-yl)amino]benzoate.
What is the SMILES notation for methyl 4-[(7-cyano-2-pyridin-2-yl-5H-imidazo[1,2-b]pyrazol-3-yl)amino]benzoate?
The canonical SMILES for methyl 4-[(7-cyano-2-pyridin-2-yl-5H-imidazo[1,2-b]pyrazol-3-yl)amino]benzoate is COC(=O)c1ccc(Nc2c(-c3ccccn3)nc3c(C#N)c[nH]n23)cc1.
What is the InChIKey of methyl 4-[(7-cyano-2-pyridin-2-yl-5H-imidazo[1,2-b]pyrazol-3-yl)amino]benzoate?
The InChIKey is HDMXQJLLIMNUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O2/c1-27-19(26)12-5-7-14(8-6-12)23-18-16(15-4-2-3-9-21-15)24-17-13(10-20)11-22-25(17)18/h2-9,11,22-23H,1H3.
What are the key properties of methyl 4-[(7-cyano-2-pyridin-2-yl-5H-imidazo[1,2-b]pyrazol-3-yl)amino]benzoate?
methyl 4-[(7-cyano-2-pyridin-2-yl-5H-imidazo[1,2-b]pyrazol-3-yl)amino]benzoate has a molecular weight of 358.36 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(7-cyano-2-pyridin-2-yl-5H-imidazo[1,2-b]pyrazol-3-yl)amino]benzoate is sourced from PubChem (CID 67284094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).