6-chloro-3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine

C19H21ClN4 — CID 89494434

IUPAC6-chloro-3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine
SMILESCCN1CCC(c2ccc(-c3cnc4ccc(Cl)nn34)cc2)CC1
InChIInChI=1S/C19H21ClN4/c1-2-23-11-9-15(10-12-23)14-3-5-16(6-4-14)17-13-21-19-8-7-18(20)22-24(17)19/h3-8,13,15H,2,9-12H2,1H3
InChIKeyAGFSHOCOVAYMMO-UHFFFAOYSA-N
MW340.86 g/mol
LogP4.25
Rot. Bonds3

About 6-chloro-3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine

6-chloro-3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine (PubChem CID 89494434) has the molecular formula C19H21ClN4 and a molecular weight of 340.86 g/mol. Its IUPAC name is 6-chloro-3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine
PubChem CID89494434
Molecular FormulaC19H21ClN4
Molecular Weight340.86 g/mol
Exact Mass340.15
IUPAC Name6-chloro-3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine
SMILESCCN1CCC(c2ccc(-c3cnc4ccc(Cl)nn34)cc2)CC1
InChIInChI=1S/C19H21ClN4/c1-2-23-11-9-15(10-12-23)14-3-5-16(6-4-14)17-13-21-19-8-7-18(20)22-24(17)19/h3-8,13,15H,2,9-12H2,1H3
InChIKeyAGFSHOCOVAYMMO-UHFFFAOYSA-N
XLogP4.25
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-chloro-3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine (CID 89494434) is 6-chloro-3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-chloro-3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-chloro-3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine is CCN1CCC(c2ccc(-c3cnc4ccc(Cl)nn34)cc2)CC1.
What is the InChIKey of 6-chloro-3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine?
The InChIKey is AGFSHOCOVAYMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4/c1-2-23-11-9-15(10-12-23)14-3-5-16(6-4-14)17-13-21-19-8-7-18(20)22-24(17)19/h3-8,13,15H,2,9-12H2,1H3.
What are the key properties of 6-chloro-3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine?
6-chloro-3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine has a molecular weight of 340.86 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 89494434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).