2-phenylimidazo[1,2-b]pyridazine-6,8-dicarboxamide

C14H11N5O2 — CID 172825282

IUPAC2-phenylimidazo[1,2-b]pyridazine-6,8-dicarboxamide
SMILESNC(=O)c1cc(C(N)=O)c2nc(-c3ccccc3)cn2n1
InChIInChI=1S/C14H11N5O2/c15-12(20)9-6-10(13(16)21)18-19-7-11(17-14(9)19)8-4-2-1-3-5-8/h1-7H,(H2,15,20)(H2,16,21)
InChIKeyUTVQJEGBHKVIOX-UHFFFAOYSA-N
MW281.28 g/mol
LogP0.59
Rot. Bonds3

About 2-phenylimidazo[1,2-b]pyridazine-6,8-dicarboxamide

2-phenylimidazo[1,2-b]pyridazine-6,8-dicarboxamide (PubChem CID 172825282) has the molecular formula C14H11N5O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-phenylimidazo[1,2-b]pyridazine-6,8-dicarboxamide.

Molecular Properties

Compound Name2-phenylimidazo[1,2-b]pyridazine-6,8-dicarboxamide
PubChem CID172825282
Molecular FormulaC14H11N5O2
Molecular Weight281.28 g/mol
Exact Mass281.09
IUPAC Name2-phenylimidazo[1,2-b]pyridazine-6,8-dicarboxamide
SMILESNC(=O)c1cc(C(N)=O)c2nc(-c3ccccc3)cn2n1
InChIInChI=1S/C14H11N5O2/c15-12(20)9-6-10(13(16)21)18-19-7-11(17-14(9)19)8-4-2-1-3-5-8/h1-7H,(H2,15,20)(H2,16,21)
InChIKeyUTVQJEGBHKVIOX-UHFFFAOYSA-N
XLogP0.59
TPSA116.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-phenylimidazo[1,2-b]pyridazine-8-carboxamide
CID 173082781
ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate
CID 134551584
6-phenylpyrimidine-4-carboxamide
CID 12582963
ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate;ethyl 2-phenylimidazo[1,2-b]pyridazine-8-carboxylate
CID 161371003
6-phenyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carboxylic acid
CID 68742881
4-methyl-6-phenylpyrimidine-2-carboxamide
CID 12562158
2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565550
2,6-diphenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
CID 82565894
2-[4-(aminomethyl)cyclohexyl]-3-oxo-6-phenylpyridazine-4-carboxamide
CID 143706047
3-(6-carbamoyl-2-pyridinyl)benzoic acid
CID 102340613
2-(6-phenylpyridazin-3-yl)indazole-7-carboxamide
CID 57425164
2-phenyl-N-(4-phenyl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide
CID 134551581

Frequently Asked Questions

What is the IUPAC name of 2-phenylimidazo[1,2-b]pyridazine-6,8-dicarboxamide?
The IUPAC name of 2-phenylimidazo[1,2-b]pyridazine-6,8-dicarboxamide (CID 172825282) is 2-phenylimidazo[1,2-b]pyridazine-6,8-dicarboxamide.
What is the SMILES notation for 2-phenylimidazo[1,2-b]pyridazine-6,8-dicarboxamide?
The canonical SMILES for 2-phenylimidazo[1,2-b]pyridazine-6,8-dicarboxamide is NC(=O)c1cc(C(N)=O)c2nc(-c3ccccc3)cn2n1.
What is the InChIKey of 2-phenylimidazo[1,2-b]pyridazine-6,8-dicarboxamide?
The InChIKey is UTVQJEGBHKVIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O2/c15-12(20)9-6-10(13(16)21)18-19-7-11(17-14(9)19)8-4-2-1-3-5-8/h1-7H,(H2,15,20)(H2,16,21).
What are the key properties of 2-phenylimidazo[1,2-b]pyridazine-6,8-dicarboxamide?
2-phenylimidazo[1,2-b]pyridazine-6,8-dicarboxamide has a molecular weight of 281.28 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylimidazo[1,2-b]pyridazine-6,8-dicarboxamide is sourced from PubChem (CID 172825282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).