6-[2-(2,3-dihydroxypropoxy)phenyl]-2-methyl-N-(6-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide

C23H23N5O4 — CID 123372483

IUPAC6-[2-(2,3-dihydroxypropoxy)phenyl]-2-methyl-N-(6-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1cccc(NC(=O)c2c(C)nc3ccc(-c4ccccc4OCC(O)CO)nn23)n1
InChIInChI=1S/C23H23N5O4/c1-14-6-5-9-20(24-14)26-23(31)22-15(2)25-21-11-10-18(27-28(21)22)17-7-3-4-8-19(17)32-13-16(30)12-29/h3-11,16,29-30H,12-13H2,1-2H3,(H,24,26,31)
InChIKeyKUUUVFRVWVSISK-UHFFFAOYSA-N
MW433.47 g/mol
LogP2.39
Rot. Bonds7

About 6-[2-(2,3-dihydroxypropoxy)phenyl]-2-methyl-N-(6-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide

6-[2-(2,3-dihydroxypropoxy)phenyl]-2-methyl-N-(6-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 123372483) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is 6-[2-(2,3-dihydroxypropoxy)phenyl]-2-methyl-N-(6-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(2,3-dihydroxypropoxy)phenyl]-2-methyl-N-(6-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID123372483
Molecular FormulaC23H23N5O4
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC Name6-[2-(2,3-dihydroxypropoxy)phenyl]-2-methyl-N-(6-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1cccc(NC(=O)c2c(C)nc3ccc(-c4ccccc4OCC(O)CO)nn23)n1
InChIInChI=1S/C23H23N5O4/c1-14-6-5-9-20(24-14)26-23(31)22-15(2)25-21-11-10-18(27-28(21)22)17-7-3-4-8-19(17)32-13-16(30)12-29/h3-11,16,29-30H,12-13H2,1-2H3,(H,24,26,31)
InChIKeyKUUUVFRVWVSISK-UHFFFAOYSA-N
XLogP2.39
TPSA121.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,3-dihydroxypropoxy)phenyl]-2-methyl-N-(6-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[2-(2,3-dihydroxypropoxy)phenyl]-2-methyl-N-(6-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide (CID 123372483) is 6-[2-(2,3-dihydroxypropoxy)phenyl]-2-methyl-N-(6-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[2-(2,3-dihydroxypropoxy)phenyl]-2-methyl-N-(6-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[2-(2,3-dihydroxypropoxy)phenyl]-2-methyl-N-(6-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide is Cc1cccc(NC(=O)c2c(C)nc3ccc(-c4ccccc4OCC(O)CO)nn23)n1.
What is the InChIKey of 6-[2-(2,3-dihydroxypropoxy)phenyl]-2-methyl-N-(6-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is KUUUVFRVWVSISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4/c1-14-6-5-9-20(24-14)26-23(31)22-15(2)25-21-11-10-18(27-28(21)22)17-7-3-4-8-19(17)32-13-16(30)12-29/h3-11,16,29-30H,12-13H2,1-2H3,(H,24,26,31).
What are the key properties of 6-[2-(2,3-dihydroxypropoxy)phenyl]-2-methyl-N-(6-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide?
6-[2-(2,3-dihydroxypropoxy)phenyl]-2-methyl-N-(6-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 433.47 g/mol, XLogP of 2.39, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,3-dihydroxypropoxy)phenyl]-2-methyl-N-(6-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 123372483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).