6-(1-amino-3-methyliminoprop-1-en-2-yl)-N-(2-pyrrolidin-1-yl-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide

C20H22N8O — CID 148527362

IUPAC6-(1-amino-3-methyliminoprop-1-en-2-yl)-N-(2-pyrrolidin-1-yl-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESC/N=C/C(=CN)c1ccc2ncc(C(=O)Nc3ccnc(N4CCCC4)c3)n2n1
InChIInChI=1S/C20H22N8O/c1-22-12-14(11-21)16-4-5-18-24-13-17(28(18)26-16)20(29)25-15-6-7-23-19(10-15)27-8-2-3-9-27/h4-7,10-13H,2-3,8-9,21H2,1H3,(H,23,25,29)/b14-11?,22-12+
InChIKeyMKMMEYAHEGNNKL-FRXWXYQFSA-N
MW390.45 g/mol
LogP1.98
Rot. Bonds5

About 6-(1-amino-3-methyliminoprop-1-en-2-yl)-N-(2-pyrrolidin-1-yl-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide

6-(1-amino-3-methyliminoprop-1-en-2-yl)-N-(2-pyrrolidin-1-yl-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 148527362) has the molecular formula C20H22N8O and a molecular weight of 390.45 g/mol. Its IUPAC name is 6-(1-amino-3-methyliminoprop-1-en-2-yl)-N-(2-pyrrolidin-1-yl-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(1-amino-3-methyliminoprop-1-en-2-yl)-N-(2-pyrrolidin-1-yl-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID148527362
Molecular FormulaC20H22N8O
Molecular Weight390.45 g/mol
Exact Mass390.19
IUPAC Name6-(1-amino-3-methyliminoprop-1-en-2-yl)-N-(2-pyrrolidin-1-yl-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESC/N=C/C(=CN)c1ccc2ncc(C(=O)Nc3ccnc(N4CCCC4)c3)n2n1
InChIInChI=1S/C20H22N8O/c1-22-12-14(11-21)16-4-5-18-24-13-17(28(18)26-16)20(29)25-15-6-7-23-19(10-15)27-8-2-3-9-27/h4-7,10-13H,2-3,8-9,21H2,1H3,(H,23,25,29)/b14-11?,22-12+
InChIKeyMKMMEYAHEGNNKL-FRXWXYQFSA-N
XLogP1.98
TPSA113.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-methyl-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 146415960
N-(2-piperidin-1-yl-4-pyridinyl)pyrrolidine-1-carboxamide
CID 155954671
4-(1-amino-3-methyliminoprop-1-en-2-yl)-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline
CID 153099789
2-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109166232
2-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109176065
N-[3-(dimethylamino)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574864
acetylene;6-(4-methyl-1,4-diazepan-1-yl)-N-[(Z)-5-methyliminopent-3-enyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 176993311
6-(1,3-dihydroisoindol-2-yl)-N-phenylimidazo[1,2-b]pyridazine-3-carboxamide
CID 66940711
N-(1H-indazol-6-yl)-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574865
ethyl 4-[(2-piperidin-1-ylpyridine-4-carbonyl)amino]benzoate
CID 109166245
6-(azepan-1-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126354
N-[6-(azetidin-1-yl)-2-pyridinyl]-6-(2-chlorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 71525583

Frequently Asked Questions

What is the IUPAC name of 6-(1-amino-3-methyliminoprop-1-en-2-yl)-N-(2-pyrrolidin-1-yl-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-(1-amino-3-methyliminoprop-1-en-2-yl)-N-(2-pyrrolidin-1-yl-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide (CID 148527362) is 6-(1-amino-3-methyliminoprop-1-en-2-yl)-N-(2-pyrrolidin-1-yl-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(1-amino-3-methyliminoprop-1-en-2-yl)-N-(2-pyrrolidin-1-yl-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-(1-amino-3-methyliminoprop-1-en-2-yl)-N-(2-pyrrolidin-1-yl-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide is C/N=C/C(=CN)c1ccc2ncc(C(=O)Nc3ccnc(N4CCCC4)c3)n2n1.
What is the InChIKey of 6-(1-amino-3-methyliminoprop-1-en-2-yl)-N-(2-pyrrolidin-1-yl-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is MKMMEYAHEGNNKL-FRXWXYQFSA-N. The full InChI is InChI=1S/C20H22N8O/c1-22-12-14(11-21)16-4-5-18-24-13-17(28(18)26-16)20(29)25-15-6-7-23-19(10-15)27-8-2-3-9-27/h4-7,10-13H,2-3,8-9,21H2,1H3,(H,23,25,29)/b14-11?,22-12+.
What are the key properties of 6-(1-amino-3-methyliminoprop-1-en-2-yl)-N-(2-pyrrolidin-1-yl-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide?
6-(1-amino-3-methyliminoprop-1-en-2-yl)-N-(2-pyrrolidin-1-yl-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-amino-3-methyliminoprop-1-en-2-yl)-N-(2-pyrrolidin-1-yl-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 148527362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).