5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-2,6-dimethylpyridine-3-carboxamide

C27H26F2N6O4 — CID 155074180

IUPAC5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-2,6-dimethylpyridine-3-carboxamide
SMILESCC(=O)Nc1cn2nc(-c3cc(C(=O)NCc4cc(F)cc(F)c4O[C@H]4CCOC4)c(C)nc3C)ccc2n1
InChIInChI=1S/C27H26F2N6O4/c1-14-20(23-4-5-25-33-24(32-16(3)36)12-35(25)34-23)10-21(15(2)31-14)27(37)30-11-17-8-18(28)9-22(29)26(17)39-19-6-7-38-13-19/h4-5,8-10,12,19H,6-7,11,13H2,1-3H3,(H,30,37)(H,32,36)/t19-/m0/s1
InChIKeyKCNGMTMWDDIWCT-IBGZPJMESA-N
MW536.54 g/mol
LogP3.74
Rot. Bonds7

About 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-2,6-dimethylpyridine-3-carboxamide

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-2,6-dimethylpyridine-3-carboxamide (PubChem CID 155074180) has the molecular formula C27H26F2N6O4 and a molecular weight of 536.54 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-2,6-dimethylpyridine-3-carboxamide
PubChem CID155074180
Molecular FormulaC27H26F2N6O4
Molecular Weight536.54 g/mol
Exact Mass536.20
IUPAC Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-2,6-dimethylpyridine-3-carboxamide
SMILESCC(=O)Nc1cn2nc(-c3cc(C(=O)NCc4cc(F)cc(F)c4O[C@H]4CCOC4)c(C)nc3C)ccc2n1
InChIInChI=1S/C27H26F2N6O4/c1-14-20(23-4-5-25-33-24(32-16(3)36)12-35(25)34-23)10-21(15(2)31-14)27(37)30-11-17-8-18(28)9-22(29)26(17)39-19-6-7-38-13-19/h4-5,8-10,12,19H,6-7,11,13H2,1-3H3,(H,30,37)(H,32,36)/t19-/m0/s1
InChIKeyKCNGMTMWDDIWCT-IBGZPJMESA-N
XLogP3.74
TPSA119.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.54
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-2,6-dimethylpyridine-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

4-(Azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid {2-[2-(2-fluoro-ethoxy)-phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl}-amide
CID 86666030
4-(azetidine-1-carbonyl)-N-[2-[2-(3-fluoropropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 165414845
1-(4-benzoylpiperazin-1-yl)-2-[4-[3-(2-methoxyphenyl)pyrazol-1-yl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 25024497
[4-[[7-(2-Methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 56951311
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide
CID 76900863
US10774086, Example 24
CID 139465947
4-fluoro-N,3-dimethyl-5-[7-(1-methylpyrazol-4-yl)-6-[(3S)-oxolan-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]benzamide
CID 158373510
3,4-difluoro-N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-[(3S)-oxolan-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]benzamide
CID 159928129
3-(difluoromethyl)-4-fluoro-N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-[(3S)-oxolan-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]benzamide
CID 161384589
N-methyl-3-[7-(1-methylpyrazol-4-yl)-6-[(3S)-oxolan-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]benzamide
CID 162265809
ethyl N-[4-[[4-amino-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carbonyl]amino]cyclohexyl]carbamate
CID 68231238
N,N,1,3-tetramethyl-4-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propylamino]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 9893282

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-2,6-dimethylpyridine-3-carboxamide (CID 155074180) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-2,6-dimethylpyridine-3-carboxamide is CC(=O)Nc1cn2nc(-c3cc(C(=O)NCc4cc(F)cc(F)c4O[C@H]4CCOC4)c(C)nc3C)ccc2n1.
What is the InChIKey of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is KCNGMTMWDDIWCT-IBGZPJMESA-N. The full InChI is InChI=1S/C27H26F2N6O4/c1-14-20(23-4-5-25-33-24(32-16(3)36)12-35(25)34-23)10-21(15(2)31-14)27(37)30-11-17-8-18(28)9-22(29)26(17)39-19-6-7-38-13-19/h4-5,8-10,12,19H,6-7,11,13H2,1-3H3,(H,30,37)(H,32,36)/t19-/m0/s1.
What are the key properties of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-2,6-dimethylpyridine-3-carboxamide?
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 536.54 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 155074180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).