2-phenyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide

C21H19N5O2 — CID 134551596

IUPAC2-phenyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide
SMILESCC(C)Oc1ccncc1NC(=O)c1ccnn2cc(-c3ccccc3)nc12
InChIInChI=1S/C21H19N5O2/c1-14(2)28-19-9-10-22-12-17(19)25-21(27)16-8-11-23-26-13-18(24-20(16)26)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,25,27)
InChIKeyGSXIRUIKNXNLAP-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.83
Rot. Bonds5

About 2-phenyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide

2-phenyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide (PubChem CID 134551596) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 2-phenyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide
PubChem CID134551596
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name2-phenyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide
SMILESCC(C)Oc1ccncc1NC(=O)c1ccnn2cc(-c3ccccc3)nc12
InChIInChI=1S/C21H19N5O2/c1-14(2)28-19-9-10-22-12-17(19)25-21(27)16-8-11-23-26-13-18(24-20(16)26)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,25,27)
InChIKeyGSXIRUIKNXNLAP-UHFFFAOYSA-N
XLogP3.83
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide?
The IUPAC name of 2-phenyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide (CID 134551596) is 2-phenyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide.
What is the SMILES notation for 2-phenyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide?
The canonical SMILES for 2-phenyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide is CC(C)Oc1ccncc1NC(=O)c1ccnn2cc(-c3ccccc3)nc12.
What is the InChIKey of 2-phenyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide?
The InChIKey is GSXIRUIKNXNLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-14(2)28-19-9-10-22-12-17(19)25-21(27)16-8-11-23-26-13-18(24-20(16)26)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,25,27).
What are the key properties of 2-phenyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide?
2-phenyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide is sourced from PubChem (CID 134551596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).