3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine

C18H14ClN5 — CID 44530407

IUPAC3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESClc1ccc(-c2cnc3ccc(NCc4ccncc4)nn23)cc1
InChIInChI=1S/C18H14ClN5/c19-15-3-1-14(2-4-15)16-12-22-18-6-5-17(23-24(16)18)21-11-13-7-9-20-10-8-13/h1-10,12H,11H2,(H,21,23)
InChIKeyTXHWKCZYAUNJQT-UHFFFAOYSA-N
MW335.80 g/mol
LogP4.06
Rot. Bonds4

About 3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine

3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 44530407) has the molecular formula C18H14ClN5 and a molecular weight of 335.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID44530407
Molecular FormulaC18H14ClN5
Molecular Weight335.80 g/mol
Exact Mass335.09
IUPAC Name3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESClc1ccc(-c2cnc3ccc(NCc4ccncc4)nn23)cc1
InChIInChI=1S/C18H14ClN5/c19-15-3-1-14(2-4-15)16-12-22-18-6-5-17(23-24(16)18)21-11-13-7-9-20-10-8-13/h1-10,12H,11H2,(H,21,23)
InChIKeyTXHWKCZYAUNJQT-UHFFFAOYSA-N
XLogP4.06
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (CID 44530407) is 3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is Clc1ccc(-c2cnc3ccc(NCc4ccncc4)nn23)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is TXHWKCZYAUNJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5/c19-15-3-1-14(2-4-15)16-12-22-18-6-5-17(23-24(16)18)21-11-13-7-9-20-10-8-13/h1-10,12H,11H2,(H,21,23).
What are the key properties of 3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 335.80 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 44530407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).