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

C24H21N7O2 — CID 161428819

IUPACN-methyl-5-[7-(1-methylpyrazol-4-yl)-6-phenylmethoxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide
SMILESCNC(=O)c1cncc(-c2cnc3cc(-c4cnn(C)c4)c(OCc4ccccc4)nn23)c1
InChIInChI=1S/C24H21N7O2/c1-25-23(32)18-8-17(10-26-11-18)21-13-27-22-9-20(19-12-28-30(2)14-19)24(29-31(21)22)33-15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3,(H,25,32)
InChIKeyVXSRREBMGHQKDS-UHFFFAOYSA-N
MW439.48 g/mol
LogP3.13
Rot. Bonds6

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

N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-phenylmethoxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide (PubChem CID 161428819) has the molecular formula C24H21N7O2 and a molecular weight of 439.48 g/mol. Its IUPAC name is N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-phenylmethoxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[7-(1-methylpyrazol-4-yl)-6-phenylmethoxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide
PubChem CID161428819
Molecular FormulaC24H21N7O2
Molecular Weight439.48 g/mol
Exact Mass439.18
IUPAC NameN-methyl-5-[7-(1-methylpyrazol-4-yl)-6-phenylmethoxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide
SMILESCNC(=O)c1cncc(-c2cnc3cc(-c4cnn(C)c4)c(OCc4ccccc4)nn23)c1
InChIInChI=1S/C24H21N7O2/c1-25-23(32)18-8-17(10-26-11-18)21-13-27-22-9-20(19-12-28-30(2)14-19)24(29-31(21)22)33-15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3,(H,25,32)
InChIKeyVXSRREBMGHQKDS-UHFFFAOYSA-N
XLogP3.13
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 53.13
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-phenylmethoxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-phenylmethoxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide (CID 161428819) is N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-phenylmethoxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-phenylmethoxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-phenylmethoxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide is CNC(=O)c1cncc(-c2cnc3cc(-c4cnn(C)c4)c(OCc4ccccc4)nn23)c1.
What is the InChIKey of N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-phenylmethoxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide?
The InChIKey is VXSRREBMGHQKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O2/c1-25-23(32)18-8-17(10-26-11-18)21-13-27-22-9-20(19-12-28-30(2)14-19)24(29-31(21)22)33-15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3,(H,25,32).
What are the key properties of N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-phenylmethoxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide?
N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-phenylmethoxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide has a molecular weight of 439.48 g/mol, XLogP of 3.13, 6 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-phenylmethoxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 161428819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).