N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-phenoxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide

C23H19N7O2 — CID 158365957

IUPACN-methyl-5-[7-(1-methylpyrazol-4-yl)-6-phenoxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide
SMILESCNC(=O)c1cncc(-c2cnc3cc(-c4cnn(C)c4)c(Oc4ccccc4)nn23)c1
InChIInChI=1S/C23H19N7O2/c1-24-22(31)16-8-15(10-25-11-16)20-13-26-21-9-19(17-12-27-29(2)14-17)23(28-30(20)21)32-18-6-4-3-5-7-18/h3-14H,1-2H3,(H,24,31)
InChIKeyGUAMECUKAAOVCU-UHFFFAOYSA-N
MW425.45 g/mol
LogP3.34
Rot. Bonds5

About N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-phenoxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide

N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-phenoxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide (PubChem CID 158365957) has the molecular formula C23H19N7O2 and a molecular weight of 425.45 g/mol. Its IUPAC name is N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-phenoxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[7-(1-methylpyrazol-4-yl)-6-phenoxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide
PubChem CID158365957
Molecular FormulaC23H19N7O2
Molecular Weight425.45 g/mol
Exact Mass425.16
IUPAC NameN-methyl-5-[7-(1-methylpyrazol-4-yl)-6-phenoxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide
SMILESCNC(=O)c1cncc(-c2cnc3cc(-c4cnn(C)c4)c(Oc4ccccc4)nn23)c1
InChIInChI=1S/C23H19N7O2/c1-24-22(31)16-8-15(10-25-11-16)20-13-26-21-9-19(17-12-27-29(2)14-17)23(28-30(20)21)32-18-6-4-3-5-7-18/h3-14H,1-2H3,(H,24,31)
InChIKeyGUAMECUKAAOVCU-UHFFFAOYSA-N
XLogP3.34
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-phenoxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-phenoxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide (CID 158365957) is N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-phenoxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-phenoxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-phenoxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide is CNC(=O)c1cncc(-c2cnc3cc(-c4cnn(C)c4)c(Oc4ccccc4)nn23)c1.
What is the InChIKey of N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-phenoxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide?
The InChIKey is GUAMECUKAAOVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O2/c1-24-22(31)16-8-15(10-25-11-16)20-13-26-21-9-19(17-12-27-29(2)14-17)23(28-30(20)21)32-18-6-4-3-5-7-18/h3-14H,1-2H3,(H,24,31).
What are the key properties of N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-phenoxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide?
N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-phenoxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide has a molecular weight of 425.45 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-phenoxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 158365957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).