ethyl 3-(6-cyanoimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylate

C19H15N5O2 — CID 67002858

IUPACethyl 3-(6-cyanoimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylate
SMILESCCOC(=O)c1ccc2c(-c3cnc4ccc(C#N)cn34)nn(C)c2c1
InChIInChI=1S/C19H15N5O2/c1-3-26-19(25)13-5-6-14-15(8-13)23(2)22-18(14)16-10-21-17-7-4-12(9-20)11-24(16)17/h4-8,10-11H,3H2,1-2H3
InChIKeyLNUYODHFLSOZCM-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.94
Rot. Bonds3

About ethyl 3-(6-cyanoimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylate

ethyl 3-(6-cyanoimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylate (PubChem CID 67002858) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is ethyl 3-(6-cyanoimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-(6-cyanoimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylate
PubChem CID67002858
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Nameethyl 3-(6-cyanoimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylate
SMILESCCOC(=O)c1ccc2c(-c3cnc4ccc(C#N)cn34)nn(C)c2c1
InChIInChI=1S/C19H15N5O2/c1-3-26-19(25)13-5-6-14-15(8-13)23(2)22-18(14)16-10-21-17-7-4-12(9-20)11-24(16)17/h4-8,10-11H,3H2,1-2H3
InChIKeyLNUYODHFLSOZCM-UHFFFAOYSA-N
XLogP2.94
TPSA85.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(6-cyanoimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylate?
The IUPAC name of ethyl 3-(6-cyanoimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylate (CID 67002858) is ethyl 3-(6-cyanoimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylate.
What is the SMILES notation for ethyl 3-(6-cyanoimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylate?
The canonical SMILES for ethyl 3-(6-cyanoimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylate is CCOC(=O)c1ccc2c(-c3cnc4ccc(C#N)cn34)nn(C)c2c1.
What is the InChIKey of ethyl 3-(6-cyanoimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylate?
The InChIKey is LNUYODHFLSOZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c1-3-26-19(25)13-5-6-14-15(8-13)23(2)22-18(14)16-10-21-17-7-4-12(9-20)11-24(16)17/h4-8,10-11H,3H2,1-2H3.
What are the key properties of ethyl 3-(6-cyanoimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylate?
ethyl 3-(6-cyanoimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylate has a molecular weight of 345.36 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(6-cyanoimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylate is sourced from PubChem (CID 67002858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).