ethyl 4-(5-chloro-3-pyridinyl)-7-ethyl-2-(methoxymethyl)pyrrolo[1,2-b]pyridazine-3-carboxylate

C19H20ClN3O3 — CID 68802370

IUPACethyl 4-(5-chloro-3-pyridinyl)-7-ethyl-2-(methoxymethyl)pyrrolo[1,2-b]pyridazine-3-carboxylate
SMILESCCOC(=O)c1c(COC)nn2c(CC)ccc2c1-c1cncc(Cl)c1
InChIInChI=1S/C19H20ClN3O3/c1-4-14-6-7-16-17(12-8-13(20)10-21-9-12)18(19(24)26-5-2)15(11-25-3)22-23(14)16/h6-10H,4-5,11H2,1-3H3
InChIKeyYFRPQVHLSFHPKK-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.94
Rot. Bonds6

About ethyl 4-(5-chloro-3-pyridinyl)-7-ethyl-2-(methoxymethyl)pyrrolo[1,2-b]pyridazine-3-carboxylate

ethyl 4-(5-chloro-3-pyridinyl)-7-ethyl-2-(methoxymethyl)pyrrolo[1,2-b]pyridazine-3-carboxylate (PubChem CID 68802370) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is ethyl 4-(5-chloro-3-pyridinyl)-7-ethyl-2-(methoxymethyl)pyrrolo[1,2-b]pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(5-chloro-3-pyridinyl)-7-ethyl-2-(methoxymethyl)pyrrolo[1,2-b]pyridazine-3-carboxylate
PubChem CID68802370
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Nameethyl 4-(5-chloro-3-pyridinyl)-7-ethyl-2-(methoxymethyl)pyrrolo[1,2-b]pyridazine-3-carboxylate
SMILESCCOC(=O)c1c(COC)nn2c(CC)ccc2c1-c1cncc(Cl)c1
InChIInChI=1S/C19H20ClN3O3/c1-4-14-6-7-16-17(12-8-13(20)10-21-9-12)18(19(24)26-5-2)15(11-25-3)22-23(14)16/h6-10H,4-5,11H2,1-3H3
InChIKeyYFRPQVHLSFHPKK-UHFFFAOYSA-N
XLogP3.94
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-chloro-3-pyridinyl)-7-ethyl-2-(methoxymethyl)pyrrolo[1,2-b]pyridazine-3-carboxylate?
The IUPAC name of ethyl 4-(5-chloro-3-pyridinyl)-7-ethyl-2-(methoxymethyl)pyrrolo[1,2-b]pyridazine-3-carboxylate (CID 68802370) is ethyl 4-(5-chloro-3-pyridinyl)-7-ethyl-2-(methoxymethyl)pyrrolo[1,2-b]pyridazine-3-carboxylate.
What is the SMILES notation for ethyl 4-(5-chloro-3-pyridinyl)-7-ethyl-2-(methoxymethyl)pyrrolo[1,2-b]pyridazine-3-carboxylate?
The canonical SMILES for ethyl 4-(5-chloro-3-pyridinyl)-7-ethyl-2-(methoxymethyl)pyrrolo[1,2-b]pyridazine-3-carboxylate is CCOC(=O)c1c(COC)nn2c(CC)ccc2c1-c1cncc(Cl)c1.
What is the InChIKey of ethyl 4-(5-chloro-3-pyridinyl)-7-ethyl-2-(methoxymethyl)pyrrolo[1,2-b]pyridazine-3-carboxylate?
The InChIKey is YFRPQVHLSFHPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-4-14-6-7-16-17(12-8-13(20)10-21-9-12)18(19(24)26-5-2)15(11-25-3)22-23(14)16/h6-10H,4-5,11H2,1-3H3.
What are the key properties of ethyl 4-(5-chloro-3-pyridinyl)-7-ethyl-2-(methoxymethyl)pyrrolo[1,2-b]pyridazine-3-carboxylate?
ethyl 4-(5-chloro-3-pyridinyl)-7-ethyl-2-(methoxymethyl)pyrrolo[1,2-b]pyridazine-3-carboxylate has a molecular weight of 373.84 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-chloro-3-pyridinyl)-7-ethyl-2-(methoxymethyl)pyrrolo[1,2-b]pyridazine-3-carboxylate is sourced from PubChem (CID 68802370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).