5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-methylpyridine-3-carboxamide

C24H23ClN6O3 — CID 155074311

IUPAC5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-methylpyridine-3-carboxamide
SMILESCC(=O)Nc1cn2nc(-c3cnc(C)c(C(=O)NCC[C@@H](O)c4ccc(Cl)cc4)c3)ccc2n1
InChIInChI=1S/C24H23ClN6O3/c1-14-19(24(34)26-10-9-21(33)16-3-5-18(25)6-4-16)11-17(12-27-14)20-7-8-23-29-22(28-15(2)32)13-31(23)30-20/h3-8,11-13,21,33H,9-10H2,1-2H3,(H,26,34)(H,28,32)/t21-/m1/s1
InChIKeyKALGXOYBHUNCPS-OAQYLSRUSA-N
MW478.94 g/mol
LogP3.57
Rot. Bonds7

About 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-methylpyridine-3-carboxamide

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-methylpyridine-3-carboxamide (PubChem CID 155074311) has the molecular formula C24H23ClN6O3 and a molecular weight of 478.94 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-methylpyridine-3-carboxamide
PubChem CID155074311
Molecular FormulaC24H23ClN6O3
Molecular Weight478.94 g/mol
Exact Mass478.15
IUPAC Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-methylpyridine-3-carboxamide
SMILESCC(=O)Nc1cn2nc(-c3cnc(C)c(C(=O)NCC[C@@H](O)c4ccc(Cl)cc4)c3)ccc2n1
InChIInChI=1S/C24H23ClN6O3/c1-14-19(24(34)26-10-9-21(33)16-3-5-18(25)6-4-16)11-17(12-27-14)20-7-8-23-29-22(28-15(2)32)13-31(23)30-20/h3-8,11-13,21,33H,9-10H2,1-2H3,(H,26,34)(H,28,32)/t21-/m1/s1
InChIKeyKALGXOYBHUNCPS-OAQYLSRUSA-N
XLogP3.57
TPSA121.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.94
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-methylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-methoxy-5-[2-(propanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide
CID 155074145
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-2,4-dimethylbenzamide
CID 155074261
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[(4-chlorophenyl)methyl]imidazol-4-yl]-2-methylpyridine-3-carboxamide
CID 155074207
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]-2-methylpyridine-3-carboxamide
CID 155074122
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]-2-methylpyridine-3-carboxamide
CID 155074344
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-deuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide
CID 155074098
2-methyl-5-[2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxylic acid
CID 142580998
N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-5-[2-[(2-hydroxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]-2-methylpyridine-3-carboxamide
CID 155074268
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-ethylbenzamide
CID 164740549
2-tert-butyl-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-methylpyridine-4-carboxamide
CID 165374235
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-ethyl-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 142580862
2-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-methylpyrimidine-4-carboxamide
CID 150485823

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-methylpyridine-3-carboxamide (CID 155074311) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-methylpyridine-3-carboxamide is CC(=O)Nc1cn2nc(-c3cnc(C)c(C(=O)NCC[C@@H](O)c4ccc(Cl)cc4)c3)ccc2n1.
What is the InChIKey of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-methylpyridine-3-carboxamide?
The InChIKey is KALGXOYBHUNCPS-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H23ClN6O3/c1-14-19(24(34)26-10-9-21(33)16-3-5-18(25)6-4-16)11-17(12-27-14)20-7-8-23-29-22(28-15(2)32)13-31(23)30-20/h3-8,11-13,21,33H,9-10H2,1-2H3,(H,26,34)(H,28,32)/t21-/m1/s1.
What are the key properties of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-methylpyridine-3-carboxamide?
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-methylpyridine-3-carboxamide has a molecular weight of 478.94 g/mol, XLogP of 3.57, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 155074311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).