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

C23H29N7O2 — CID 135147740

IUPAC2-(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
SMILESCCOc1ncccc1-c1nn2c(C)nc(C(C)C)c2c(NCc2nc(C)no2)c1CC
InChIInChI=1S/C23H29N7O2/c1-7-16-20(17-10-9-11-24-23(17)31-8-2)28-30-15(6)27-19(13(3)4)22(30)21(16)25-12-18-26-14(5)29-32-18/h9-11,13,25H,7-8,12H2,1-6H3
InChIKeyKAIURXFYMCNVEJ-UHFFFAOYSA-N
MW435.53 g/mol
LogP4.49
Rot. Bonds8

About 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

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 (PubChem CID 135147740) has the molecular formula C23H29N7O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID135147740
Molecular FormulaC23H29N7O2
Molecular Weight435.53 g/mol
Exact Mass435.24
IUPAC Name2-(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
SMILESCCOc1ncccc1-c1nn2c(C)nc(C(C)C)c2c(NCc2nc(C)no2)c1CC
InChIInChI=1S/C23H29N7O2/c1-7-16-20(17-10-9-11-24-23(17)31-8-2)28-30-15(6)27-19(13(3)4)22(30)21(16)25-12-18-26-14(5)29-32-18/h9-11,13,25H,7-8,12H2,1-6H3
InChIKeyKAIURXFYMCNVEJ-UHFFFAOYSA-N
XLogP4.49
TPSA103.26 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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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
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
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
6-ethoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine
CID 63590936
3-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine
CID 61373168
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 62784912
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-nitropyridin-2-amine
CID 54903766
2-ethoxy-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 87029742
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 54903289
ethyl 3-amino-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzoate
CID 115934703
2-ethoxy-3-propan-2-ylpyridine
CID 58551728
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-ethoxypyridin-3-amine
CID 43706464

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOc1ncccc1-c1nn2c(C)nc(C(C)C)c2c(NCc2nc(C)no2)c1CC.
What is the InChIKey of 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?
The InChIKey is KAIURXFYMCNVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O2/c1-7-16-20(17-10-9-11-24-23(17)31-8-2)28-30-15(6)27-19(13(3)4)22(30)21(16)25-12-18-26-14(5)29-32-18/h9-11,13,25H,7-8,12H2,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 435.53 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 135147740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).