N-[6-[3-[(3-chlorophenyl)methylamino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

C23H20ClN5O2 — CID 143620601

IUPACN-[6-[3-[(3-chlorophenyl)methylamino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cn2nc(Oc3cccc(NCc4cccc(Cl)c4)c3)ccc2n1)C1CC1
InChIInChI=1S/C23H20ClN5O2/c24-17-4-1-3-15(11-17)13-25-18-5-2-6-19(12-18)31-22-10-9-21-26-20(14-29(21)28-22)27-23(30)16-7-8-16/h1-6,9-12,14,16,25H,7-8,13H2,(H,27,30)
InChIKeySEDQZHRKAOHGMK-UHFFFAOYSA-N
MW433.90 g/mol
LogP5.14
Rot. Bonds7

About N-[6-[3-[(3-chlorophenyl)methylamino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

N-[6-[3-[(3-chlorophenyl)methylamino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 143620601) has the molecular formula C23H20ClN5O2 and a molecular weight of 433.90 g/mol. Its IUPAC name is N-[6-[3-[(3-chlorophenyl)methylamino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[3-[(3-chlorophenyl)methylamino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
PubChem CID143620601
Molecular FormulaC23H20ClN5O2
Molecular Weight433.90 g/mol
Exact Mass433.13
IUPAC NameN-[6-[3-[(3-chlorophenyl)methylamino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cn2nc(Oc3cccc(NCc4cccc(Cl)c4)c3)ccc2n1)C1CC1
InChIInChI=1S/C23H20ClN5O2/c24-17-4-1-3-15(11-17)13-25-18-5-2-6-19(12-18)31-22-10-9-21-26-20(14-29(21)28-22)27-23(30)16-7-8-16/h1-6,9-12,14,16,25H,7-8,13H2,(H,27,30)
InChIKeySEDQZHRKAOHGMK-UHFFFAOYSA-N
XLogP5.14
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.90
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[4-methyl-3-[2-oxo-2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 159570415
N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-N-methyl-3-(trifluoromethoxy)benzamide
CID 162600212
N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 71125471
N-[3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
CID 57386062
N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-4-methoxy-2-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide
CID 70875087
N-[6-[3-(2,2-dimethylpropanoylamino)phenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-methylthiophene-2-carboxamide
CID 59175501
1-[[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 70988540
N-[3-[2-[[2-(dimethylamino)acetyl]amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
CID 24767995
N-cyclopropyloxy-6-(3-fluorophenoxy)imidazo[1,2-b]pyridazin-2-amine
CID 143620600
trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide
CID 165134136
1-N'-tert-butyl-1-N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]cyclopropane-1,1-dicarboxamide
CID 143840304
N-[3-[(3-chlorophenyl)methylamino]phenyl]-2-hydroxyacetamide
CID 71968013

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-[(3-chlorophenyl)methylamino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[3-[(3-chlorophenyl)methylamino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 143620601) is N-[6-[3-[(3-chlorophenyl)methylamino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[3-[(3-chlorophenyl)methylamino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[3-[(3-chlorophenyl)methylamino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is O=C(Nc1cn2nc(Oc3cccc(NCc4cccc(Cl)c4)c3)ccc2n1)C1CC1.
What is the InChIKey of N-[6-[3-[(3-chlorophenyl)methylamino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The InChIKey is SEDQZHRKAOHGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O2/c24-17-4-1-3-15(11-17)13-25-18-5-2-6-19(12-18)31-22-10-9-21-26-20(14-29(21)28-22)27-23(30)16-7-8-16/h1-6,9-12,14,16,25H,7-8,13H2,(H,27,30).
What are the key properties of N-[6-[3-[(3-chlorophenyl)methylamino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
N-[6-[3-[(3-chlorophenyl)methylamino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 433.90 g/mol, XLogP of 5.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-[(3-chlorophenyl)methylamino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 143620601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).