N'-hydroxy-2-[[7-methyl-5-propan-2-yl-2-(2-propan-2-yloxy-3-pyridinyl)imidazo[1,5-b]pyridazin-4-yl]amino]ethanimidamide

C20H27N7O2 — CID 156570611

IUPACN'-hydroxy-2-[[7-methyl-5-propan-2-yl-2-(2-propan-2-yloxy-3-pyridinyl)imidazo[1,5-b]pyridazin-4-yl]amino]ethanimidamide
SMILESCc1nc(C(C)C)c2c(NC/C(N)=N\O)cc(-c3cccnc3OC(C)C)nn12
InChIInChI=1S/C20H27N7O2/c1-11(2)18-19-16(23-10-17(21)26-28)9-15(25-27(19)13(5)24-18)14-7-6-8-22-20(14)29-12(3)4/h6-9,11-12,23,28H,10H2,1-5H3,(H2,21,26)
InChIKeyRTOBJOSYUHUKMP-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.17
Rot. Bonds7

About N'-hydroxy-2-[[7-methyl-5-propan-2-yl-2-(2-propan-2-yloxy-3-pyridinyl)imidazo[1,5-b]pyridazin-4-yl]amino]ethanimidamide

N'-hydroxy-2-[[7-methyl-5-propan-2-yl-2-(2-propan-2-yloxy-3-pyridinyl)imidazo[1,5-b]pyridazin-4-yl]amino]ethanimidamide (PubChem CID 156570611) has the molecular formula C20H27N7O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N'-hydroxy-2-[[7-methyl-5-propan-2-yl-2-(2-propan-2-yloxy-3-pyridinyl)imidazo[1,5-b]pyridazin-4-yl]amino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[[7-methyl-5-propan-2-yl-2-(2-propan-2-yloxy-3-pyridinyl)imidazo[1,5-b]pyridazin-4-yl]amino]ethanimidamide
PubChem CID156570611
Molecular FormulaC20H27N7O2
Molecular Weight397.48 g/mol
Exact Mass397.22
IUPAC NameN'-hydroxy-2-[[7-methyl-5-propan-2-yl-2-(2-propan-2-yloxy-3-pyridinyl)imidazo[1,5-b]pyridazin-4-yl]amino]ethanimidamide
SMILESCc1nc(C(C)C)c2c(NC/C(N)=N\O)cc(-c3cccnc3OC(C)C)nn12
InChIInChI=1S/C20H27N7O2/c1-11(2)18-19-16(23-10-17(21)26-28)9-15(25-27(19)13(5)24-18)14-7-6-8-22-20(14)29-12(3)4/h6-9,11-12,23,28H,10H2,1-5H3,(H2,21,26)
InChIKeyRTOBJOSYUHUKMP-UHFFFAOYSA-N
XLogP3.17
TPSA122.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethoxy-3-pyridinyl)-N-[(2-fluoro-3-pyridinyl)methyl]-7-methyl-5-propan-2-ylimidazo[1,5-b]pyridazin-4-amine
CID 135147648
2-[(2-chloro-7-methyl-5-propan-2-ylimidazo[1,5-b]pyridazin-4-yl)amino]acetonitrile;(2-ethoxy-3-pyridinyl)boronic acid;2-[[2-(2-ethoxy-3-pyridinyl)-7-methyl-5-propan-2-ylimidazo[1,5-b]pyridazin-4-yl]amino]acetonitrile
CID 159561925
2-(2-ethoxy-3-pyridinyl)-3-ethyl-7-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propan-2-ylimidazo[1,5-b]pyridazin-4-amine
CID 135147740
N-(1-aminoethylidene)-2-[[5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-yl]amino]ethanimidamide
CID 138746762
N'-hydroxy-5-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pentanimidamide
CID 77031333
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 61373876
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
N-ethyl-2-propan-2-yloxypyridin-3-amine
CID 61374229
5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(4-methyl-4H-imidazol-2-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
CID 155768026
N-[(3-bromophenyl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 63454228
ethanimidoyl 2-[[1-butan-2-yl-5-(2-ethoxy-3-pyridinyl)-2-ethyl-3-methylpyrrolo[3,2-b]pyridin-7-yl]amino]ethanimidate
CID 145436223
5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine
CID 138692757

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[[7-methyl-5-propan-2-yl-2-(2-propan-2-yloxy-3-pyridinyl)imidazo[1,5-b]pyridazin-4-yl]amino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[[7-methyl-5-propan-2-yl-2-(2-propan-2-yloxy-3-pyridinyl)imidazo[1,5-b]pyridazin-4-yl]amino]ethanimidamide (CID 156570611) is N'-hydroxy-2-[[7-methyl-5-propan-2-yl-2-(2-propan-2-yloxy-3-pyridinyl)imidazo[1,5-b]pyridazin-4-yl]amino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[[7-methyl-5-propan-2-yl-2-(2-propan-2-yloxy-3-pyridinyl)imidazo[1,5-b]pyridazin-4-yl]amino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[[7-methyl-5-propan-2-yl-2-(2-propan-2-yloxy-3-pyridinyl)imidazo[1,5-b]pyridazin-4-yl]amino]ethanimidamide is Cc1nc(C(C)C)c2c(NC/C(N)=N\O)cc(-c3cccnc3OC(C)C)nn12.
What is the InChIKey of N'-hydroxy-2-[[7-methyl-5-propan-2-yl-2-(2-propan-2-yloxy-3-pyridinyl)imidazo[1,5-b]pyridazin-4-yl]amino]ethanimidamide?
The InChIKey is RTOBJOSYUHUKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O2/c1-11(2)18-19-16(23-10-17(21)26-28)9-15(25-27(19)13(5)24-18)14-7-6-8-22-20(14)29-12(3)4/h6-9,11-12,23,28H,10H2,1-5H3,(H2,21,26).
What are the key properties of N'-hydroxy-2-[[7-methyl-5-propan-2-yl-2-(2-propan-2-yloxy-3-pyridinyl)imidazo[1,5-b]pyridazin-4-yl]amino]ethanimidamide?
N'-hydroxy-2-[[7-methyl-5-propan-2-yl-2-(2-propan-2-yloxy-3-pyridinyl)imidazo[1,5-b]pyridazin-4-yl]amino]ethanimidamide has a molecular weight of 397.48 g/mol, XLogP of 3.17, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[[7-methyl-5-propan-2-yl-2-(2-propan-2-yloxy-3-pyridinyl)imidazo[1,5-b]pyridazin-4-yl]amino]ethanimidamide is sourced from PubChem (CID 156570611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).