ethyl 2-(3-imidazo[1,2-b]pyridazin-2-ylanilino)pyridine-3-carboxylate

C20H17N5O2 — CID 42623757

IUPACethyl 2-(3-imidazo[1,2-b]pyridazin-2-ylanilino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1Nc1cccc(-c2cn3ncccc3n2)c1
InChIInChI=1S/C20H17N5O2/c1-2-27-20(26)16-8-4-10-21-19(16)23-15-7-3-6-14(12-15)17-13-25-18(24-17)9-5-11-22-25/h3-13H,2H2,1H3,(H,21,23)
InChIKeyZMRUAWIYSHDPRW-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.71
Rot. Bonds5

About ethyl 2-(3-imidazo[1,2-b]pyridazin-2-ylanilino)pyridine-3-carboxylate

ethyl 2-(3-imidazo[1,2-b]pyridazin-2-ylanilino)pyridine-3-carboxylate (PubChem CID 42623757) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is ethyl 2-(3-imidazo[1,2-b]pyridazin-2-ylanilino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-imidazo[1,2-b]pyridazin-2-ylanilino)pyridine-3-carboxylate
PubChem CID42623757
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Nameethyl 2-(3-imidazo[1,2-b]pyridazin-2-ylanilino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1Nc1cccc(-c2cn3ncccc3n2)c1
InChIInChI=1S/C20H17N5O2/c1-2-27-20(26)16-8-4-10-21-19(16)23-15-7-3-6-14(12-15)17-13-25-18(24-17)9-5-11-22-25/h3-13H,2H2,1H3,(H,21,23)
InChIKeyZMRUAWIYSHDPRW-UHFFFAOYSA-N
XLogP3.71
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-imidazo[1,2-b]pyridazin-2-ylanilino)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(3-imidazo[1,2-b]pyridazin-2-ylanilino)pyridine-3-carboxylate (CID 42623757) is ethyl 2-(3-imidazo[1,2-b]pyridazin-2-ylanilino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(3-imidazo[1,2-b]pyridazin-2-ylanilino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(3-imidazo[1,2-b]pyridazin-2-ylanilino)pyridine-3-carboxylate is CCOC(=O)c1cccnc1Nc1cccc(-c2cn3ncccc3n2)c1.
What is the InChIKey of ethyl 2-(3-imidazo[1,2-b]pyridazin-2-ylanilino)pyridine-3-carboxylate?
The InChIKey is ZMRUAWIYSHDPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-2-27-20(26)16-8-4-10-21-19(16)23-15-7-3-6-14(12-15)17-13-25-18(24-17)9-5-11-22-25/h3-13H,2H2,1H3,(H,21,23).
What are the key properties of ethyl 2-(3-imidazo[1,2-b]pyridazin-2-ylanilino)pyridine-3-carboxylate?
ethyl 2-(3-imidazo[1,2-b]pyridazin-2-ylanilino)pyridine-3-carboxylate has a molecular weight of 359.39 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-imidazo[1,2-b]pyridazin-2-ylanilino)pyridine-3-carboxylate is sourced from PubChem (CID 42623757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).