N-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-2-morpholin-4-ylacetamide

C24H29ClN6O2 — CID 71235290

IUPACN-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)NC1CCC(Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)CC1
InChIInChI=1S/C24H29ClN6O2/c25-18-3-1-2-17(14-18)21-15-26-23-9-8-22(29-31(21)23)27-19-4-6-20(7-5-19)28-24(32)16-30-10-12-33-13-11-30/h1-3,8-9,14-15,19-20H,4-7,10-13,16H2,(H,27,29)(H,28,32)
InChIKeyHDDCJSPYORPJKV-UHFFFAOYSA-N
MW468.99 g/mol
LogP3.22
Rot. Bonds6

About N-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-2-morpholin-4-ylacetamide

N-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-2-morpholin-4-ylacetamide (PubChem CID 71235290) has the molecular formula C24H29ClN6O2 and a molecular weight of 468.99 g/mol. Its IUPAC name is N-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-2-morpholin-4-ylacetamide
PubChem CID71235290
Molecular FormulaC24H29ClN6O2
Molecular Weight468.99 g/mol
Exact Mass468.20
IUPAC NameN-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)NC1CCC(Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)CC1
InChIInChI=1S/C24H29ClN6O2/c25-18-3-1-2-17(14-18)21-15-26-23-9-8-22(29-31(21)23)27-19-4-6-20(7-5-19)28-24(32)16-30-10-12-33-13-11-30/h1-3,8-9,14-15,19-20H,4-7,10-13,16H2,(H,27,29)(H,28,32)
InChIKeyHDDCJSPYORPJKV-UHFFFAOYSA-N
XLogP3.22
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.99
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-2-morpholin-4-ylacetamide (CID 71235290) is N-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)NC1CCC(Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)CC1.
What is the InChIKey of N-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-2-morpholin-4-ylacetamide?
The InChIKey is HDDCJSPYORPJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN6O2/c25-18-3-1-2-17(14-18)21-15-26-23-9-8-22(29-31(21)23)27-19-4-6-20(7-5-19)28-24(32)16-30-10-12-33-13-11-30/h1-3,8-9,14-15,19-20H,4-7,10-13,16H2,(H,27,29)(H,28,32).
What are the key properties of N-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-2-morpholin-4-ylacetamide?
N-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-2-morpholin-4-ylacetamide has a molecular weight of 468.99 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 71235290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).