6-(4-methoxypyrrolo[1,2-b]pyridazin-5-yl)-2-methyl-1-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-b]pyridine

C20H19N7O — CID 138522349

IUPAC6-(4-methoxypyrrolo[1,2-b]pyridazin-5-yl)-2-methyl-1-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-b]pyridine
SMILESCOc1ccnn2ccc(-c3cnc4nc(C)n(Cc5ccnn5C)c4c3)c12
InChIInChI=1S/C20H19N7O/c1-13-24-20-17(26(13)12-15-4-7-22-25(15)2)10-14(11-21-20)16-6-9-27-19(16)18(28-3)5-8-23-27/h4-11H,12H2,1-3H3
InChIKeyISKYTJOHVHNQPO-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.84
Rot. Bonds4

About 6-(4-methoxypyrrolo[1,2-b]pyridazin-5-yl)-2-methyl-1-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-b]pyridine

6-(4-methoxypyrrolo[1,2-b]pyridazin-5-yl)-2-methyl-1-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-b]pyridine (PubChem CID 138522349) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is 6-(4-methoxypyrrolo[1,2-b]pyridazin-5-yl)-2-methyl-1-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(4-methoxypyrrolo[1,2-b]pyridazin-5-yl)-2-methyl-1-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-b]pyridine
PubChem CID138522349
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name6-(4-methoxypyrrolo[1,2-b]pyridazin-5-yl)-2-methyl-1-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-b]pyridine
SMILESCOc1ccnn2ccc(-c3cnc4nc(C)n(Cc5ccnn5C)c4c3)c12
InChIInChI=1S/C20H19N7O/c1-13-24-20-17(26(13)12-15-4-7-22-25(15)2)10-14(11-21-20)16-6-9-27-19(16)18(28-3)5-8-23-27/h4-11H,12H2,1-3H3
InChIKeyISKYTJOHVHNQPO-UHFFFAOYSA-N
XLogP2.84
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxypyrrolo[1,2-b]pyridazin-5-yl)-2-methyl-1-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 6-(4-methoxypyrrolo[1,2-b]pyridazin-5-yl)-2-methyl-1-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-b]pyridine (CID 138522349) is 6-(4-methoxypyrrolo[1,2-b]pyridazin-5-yl)-2-methyl-1-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-(4-methoxypyrrolo[1,2-b]pyridazin-5-yl)-2-methyl-1-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 6-(4-methoxypyrrolo[1,2-b]pyridazin-5-yl)-2-methyl-1-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-b]pyridine is COc1ccnn2ccc(-c3cnc4nc(C)n(Cc5ccnn5C)c4c3)c12.
What is the InChIKey of 6-(4-methoxypyrrolo[1,2-b]pyridazin-5-yl)-2-methyl-1-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-b]pyridine?
The InChIKey is ISKYTJOHVHNQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c1-13-24-20-17(26(13)12-15-4-7-22-25(15)2)10-14(11-21-20)16-6-9-27-19(16)18(28-3)5-8-23-27/h4-11H,12H2,1-3H3.
What are the key properties of 6-(4-methoxypyrrolo[1,2-b]pyridazin-5-yl)-2-methyl-1-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-b]pyridine?
6-(4-methoxypyrrolo[1,2-b]pyridazin-5-yl)-2-methyl-1-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-b]pyridine has a molecular weight of 373.42 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxypyrrolo[1,2-b]pyridazin-5-yl)-2-methyl-1-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 138522349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).