ethyl 4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)-1H-pyrazole-5-carboxylate

C20H16N6O2 — CID 134202700

IUPACethyl 4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1[nH]nc(-c2cccc(C)n2)c1-c1ccc2ncc(C#N)n2c1
InChIInChI=1S/C20H16N6O2/c1-3-28-20(27)19-17(18(24-25-19)15-6-4-5-12(2)23-15)13-7-8-16-22-10-14(9-21)26(16)11-13/h4-8,10-11H,3H2,1-2H3,(H,24,25)
InChIKeyCZZHIRASMNQMKP-UHFFFAOYSA-N
MW372.39 g/mol
LogP3.14
Rot. Bonds4

About ethyl 4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)-1H-pyrazole-5-carboxylate

ethyl 4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)-1H-pyrazole-5-carboxylate (PubChem CID 134202700) has the molecular formula C20H16N6O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is ethyl 4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)-1H-pyrazole-5-carboxylate
PubChem CID134202700
Molecular FormulaC20H16N6O2
Molecular Weight372.39 g/mol
Exact Mass372.13
IUPAC Nameethyl 4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1[nH]nc(-c2cccc(C)n2)c1-c1ccc2ncc(C#N)n2c1
InChIInChI=1S/C20H16N6O2/c1-3-28-20(27)19-17(18(24-25-19)15-6-4-5-12(2)23-15)13-7-8-16-22-10-14(9-21)26(16)11-13/h4-8,10-11H,3H2,1-2H3,(H,24,25)
InChIKeyCZZHIRASMNQMKP-UHFFFAOYSA-N
XLogP3.14
TPSA108.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)-1H-pyrazole-5-carboxylate?
The IUPAC name of ethyl 4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)-1H-pyrazole-5-carboxylate (CID 134202700) is ethyl 4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)-1H-pyrazole-5-carboxylate?
The canonical SMILES for ethyl 4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)-1H-pyrazole-5-carboxylate is CCOC(=O)c1[nH]nc(-c2cccc(C)n2)c1-c1ccc2ncc(C#N)n2c1.
What is the InChIKey of ethyl 4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)-1H-pyrazole-5-carboxylate?
The InChIKey is CZZHIRASMNQMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2/c1-3-28-20(27)19-17(18(24-25-19)15-6-4-5-12(2)23-15)13-7-8-16-22-10-14(9-21)26(16)11-13/h4-8,10-11H,3H2,1-2H3,(H,24,25).
What are the key properties of ethyl 4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)-1H-pyrazole-5-carboxylate?
ethyl 4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)-1H-pyrazole-5-carboxylate has a molecular weight of 372.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 134202700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).