2-(2-ethoxy-3-pyridinyl)-N-[(2-fluoro-3-pyridinyl)methyl]-7-methyl-5-propan-2-ylimidazo[1,5-b]pyridazin-4-amine

C23H25FN6O — CID 135147648

IUPAC2-(2-ethoxy-3-pyridinyl)-N-[(2-fluoro-3-pyridinyl)methyl]-7-methyl-5-propan-2-ylimidazo[1,5-b]pyridazin-4-amine
SMILESCCOc1ncccc1-c1cc(NCc2cccnc2F)c2c(C(C)C)nc(C)n2n1
InChIInChI=1S/C23H25FN6O/c1-5-31-23-17(9-7-11-26-23)18-12-19(27-13-16-8-6-10-25-22(16)24)21-20(14(2)3)28-15(4)30(21)29-18/h6-12,14,27H,5,13H2,1-4H3
InChIKeyRPGUWCCTZYIZDT-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.77
Rot. Bonds7

About 2-(2-ethoxy-3-pyridinyl)-N-[(2-fluoro-3-pyridinyl)methyl]-7-methyl-5-propan-2-ylimidazo[1,5-b]pyridazin-4-amine

2-(2-ethoxy-3-pyridinyl)-N-[(2-fluoro-3-pyridinyl)methyl]-7-methyl-5-propan-2-ylimidazo[1,5-b]pyridazin-4-amine (PubChem CID 135147648) has the molecular formula C23H25FN6O and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-(2-ethoxy-3-pyridinyl)-N-[(2-fluoro-3-pyridinyl)methyl]-7-methyl-5-propan-2-ylimidazo[1,5-b]pyridazin-4-amine.

Molecular Properties

Compound Name2-(2-ethoxy-3-pyridinyl)-N-[(2-fluoro-3-pyridinyl)methyl]-7-methyl-5-propan-2-ylimidazo[1,5-b]pyridazin-4-amine
PubChem CID135147648
Molecular FormulaC23H25FN6O
Molecular Weight420.49 g/mol
Exact Mass420.21
IUPAC Name2-(2-ethoxy-3-pyridinyl)-N-[(2-fluoro-3-pyridinyl)methyl]-7-methyl-5-propan-2-ylimidazo[1,5-b]pyridazin-4-amine
SMILESCCOc1ncccc1-c1cc(NCc2cccnc2F)c2c(C(C)C)nc(C)n2n1
InChIInChI=1S/C23H25FN6O/c1-5-31-23-17(9-7-11-26-23)18-12-19(27-13-16-8-6-10-25-22(16)24)21-20(14(2)3)28-15(4)30(21)29-18/h6-12,14,27H,5,13H2,1-4H3
InChIKeyRPGUWCCTZYIZDT-UHFFFAOYSA-N
XLogP4.77
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-3-pyridinyl)-N-[(2-fluoro-3-pyridinyl)methyl]-7-methyl-5-propan-2-ylimidazo[1,5-b]pyridazin-4-amine?
The IUPAC name of 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) is 2-(2-ethoxy-3-pyridinyl)-N-[(2-fluoro-3-pyridinyl)methyl]-7-methyl-5-propan-2-ylimidazo[1,5-b]pyridazin-4-amine.
What is the SMILES notation for 2-(2-ethoxy-3-pyridinyl)-N-[(2-fluoro-3-pyridinyl)methyl]-7-methyl-5-propan-2-ylimidazo[1,5-b]pyridazin-4-amine?
The canonical SMILES for 2-(2-ethoxy-3-pyridinyl)-N-[(2-fluoro-3-pyridinyl)methyl]-7-methyl-5-propan-2-ylimidazo[1,5-b]pyridazin-4-amine is CCOc1ncccc1-c1cc(NCc2cccnc2F)c2c(C(C)C)nc(C)n2n1.
What is the InChIKey of 2-(2-ethoxy-3-pyridinyl)-N-[(2-fluoro-3-pyridinyl)methyl]-7-methyl-5-propan-2-ylimidazo[1,5-b]pyridazin-4-amine?
The InChIKey is RPGUWCCTZYIZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O/c1-5-31-23-17(9-7-11-26-23)18-12-19(27-13-16-8-6-10-25-22(16)24)21-20(14(2)3)28-15(4)30(21)29-18/h6-12,14,27H,5,13H2,1-4H3.
What are the key properties of 2-(2-ethoxy-3-pyridinyl)-N-[(2-fluoro-3-pyridinyl)methyl]-7-methyl-5-propan-2-ylimidazo[1,5-b]pyridazin-4-amine?
2-(2-ethoxy-3-pyridinyl)-N-[(2-fluoro-3-pyridinyl)methyl]-7-methyl-5-propan-2-ylimidazo[1,5-b]pyridazin-4-amine has a molecular weight of 420.49 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-3-pyridinyl)-N-[(2-fluoro-3-pyridinyl)methyl]-7-methyl-5-propan-2-ylimidazo[1,5-b]pyridazin-4-amine is sourced from PubChem (CID 135147648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).