1-[4-[6-chloro-2-(4-fluoro-3-methylphenyl)-8-methylimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-ethylurea

C22H20ClFN6O — CID 59759719

IUPAC1-[4-[6-chloro-2-(4-fluoro-3-methylphenyl)-8-methylimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-ethylurea
SMILESCCNC(=O)Nc1cc(-c2c(-c3ccc(F)c(C)c3)nc3c(C)cc(Cl)nn23)ccn1
InChIInChI=1S/C22H20ClFN6O/c1-4-25-22(31)27-18-11-15(7-8-26-18)20-19(14-5-6-16(24)12(2)9-14)28-21-13(3)10-17(23)29-30(20)21/h5-11H,4H2,1-3H3,(H2,25,26,27,31)
InChIKeyOAAZEBSXGZWEIK-UHFFFAOYSA-N
MW438.89 g/mol
LogP5.01
Rot. Bonds4

About 1-[4-[6-chloro-2-(4-fluoro-3-methylphenyl)-8-methylimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-ethylurea

1-[4-[6-chloro-2-(4-fluoro-3-methylphenyl)-8-methylimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-ethylurea (PubChem CID 59759719) has the molecular formula C22H20ClFN6O and a molecular weight of 438.89 g/mol. Its IUPAC name is 1-[4-[6-chloro-2-(4-fluoro-3-methylphenyl)-8-methylimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-ethylurea.

Molecular Properties

Compound Name1-[4-[6-chloro-2-(4-fluoro-3-methylphenyl)-8-methylimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-ethylurea
PubChem CID59759719
Molecular FormulaC22H20ClFN6O
Molecular Weight438.89 g/mol
Exact Mass438.14
IUPAC Name1-[4-[6-chloro-2-(4-fluoro-3-methylphenyl)-8-methylimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-ethylurea
SMILESCCNC(=O)Nc1cc(-c2c(-c3ccc(F)c(C)c3)nc3c(C)cc(Cl)nn23)ccn1
InChIInChI=1S/C22H20ClFN6O/c1-4-25-22(31)27-18-11-15(7-8-26-18)20-19(14-5-6-16(24)12(2)9-14)28-21-13(3)10-17(23)29-30(20)21/h5-11H,4H2,1-3H3,(H2,25,26,27,31)
InChIKeyOAAZEBSXGZWEIK-UHFFFAOYSA-N
XLogP5.01
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.89
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-chloro-2-(4-fluoro-3-methylphenyl)-8-methylimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-ethylurea?
The IUPAC name of 1-[4-[6-chloro-2-(4-fluoro-3-methylphenyl)-8-methylimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-ethylurea (CID 59759719) is 1-[4-[6-chloro-2-(4-fluoro-3-methylphenyl)-8-methylimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-ethylurea.
What is the SMILES notation for 1-[4-[6-chloro-2-(4-fluoro-3-methylphenyl)-8-methylimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-ethylurea?
The canonical SMILES for 1-[4-[6-chloro-2-(4-fluoro-3-methylphenyl)-8-methylimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-ethylurea is CCNC(=O)Nc1cc(-c2c(-c3ccc(F)c(C)c3)nc3c(C)cc(Cl)nn23)ccn1.
What is the InChIKey of 1-[4-[6-chloro-2-(4-fluoro-3-methylphenyl)-8-methylimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-ethylurea?
The InChIKey is OAAZEBSXGZWEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN6O/c1-4-25-22(31)27-18-11-15(7-8-26-18)20-19(14-5-6-16(24)12(2)9-14)28-21-13(3)10-17(23)29-30(20)21/h5-11H,4H2,1-3H3,(H2,25,26,27,31).
What are the key properties of 1-[4-[6-chloro-2-(4-fluoro-3-methylphenyl)-8-methylimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-ethylurea?
1-[4-[6-chloro-2-(4-fluoro-3-methylphenyl)-8-methylimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-ethylurea has a molecular weight of 438.89 g/mol, XLogP of 5.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-chloro-2-(4-fluoro-3-methylphenyl)-8-methylimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-ethylurea is sourced from PubChem (CID 59759719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).