2-methoxy-5-[2-(2-methylpropanoylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide

C25H23F3N6O4 — CID 155074290

IUPAC2-methoxy-5-[2-(2-methylpropanoylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESCOc1ncc(-c2ccc3nc(NC(=O)C(C)C)cn3n2)cc1C(=O)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C25H23F3N6O4/c1-14(2)22(35)32-20-13-34-21(31-20)9-8-18(33-34)16-10-17(24(37-3)30-12-16)23(36)29-11-15-6-4-5-7-19(15)38-25(26,27)28/h4-10,12-14H,11H2,1-3H3,(H,29,36)(H,32,35)
InChIKeyHEQOZPOBLOOTIK-UHFFFAOYSA-N
MW528.49 g/mol
LogP4.22
Rot. Bonds8

About 2-methoxy-5-[2-(2-methylpropanoylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide

2-methoxy-5-[2-(2-methylpropanoylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 155074290) has the molecular formula C25H23F3N6O4 and a molecular weight of 528.49 g/mol. Its IUPAC name is 2-methoxy-5-[2-(2-methylpropanoylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-5-[2-(2-methylpropanoylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
PubChem CID155074290
Molecular FormulaC25H23F3N6O4
Molecular Weight528.49 g/mol
Exact Mass528.17
IUPAC Name2-methoxy-5-[2-(2-methylpropanoylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESCOc1ncc(-c2ccc3nc(NC(=O)C(C)C)cn3n2)cc1C(=O)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C25H23F3N6O4/c1-14(2)22(35)32-20-13-34-21(31-20)9-8-18(33-34)16-10-17(24(37-3)30-12-16)23(36)29-11-15-6-4-5-7-19(15)38-25(26,27)28/h4-10,12-14H,11H2,1-3H3,(H,29,36)(H,32,35)
InChIKeyHEQOZPOBLOOTIK-UHFFFAOYSA-N
XLogP4.22
TPSA119.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.49
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-methoxy-5-[2-(2-methylpropanoylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-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

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 142581016
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[4-fluoro-2-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide
CID 155074393
5-[2-[(2-cyano-2-methylpropanoyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide
CID 154697468
5-[2-[(2-cyano-2-methylpropanoyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-[[5-(cyclopropylmethoxy)-2-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide
CID 154697463
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-ethyl-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 142580862
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-[(4,4-difluorocyclohexyl)methoxy]phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide
CID 155074277
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-3-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxybenzamide
CID 142580852
N-[[2-[cyclopropyl(deuterio)methoxy]-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-(propanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide
CID 155074295
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-3-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methylbenzamide
CID 155089158
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-6-methyl-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 165437122
phenyl N-[6-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]carbamate
CID 176898184
2-methoxy-5-[2-(prop-2-enoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxylic acid
CID 175439945

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[2-(2-methylpropanoylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-5-[2-(2-methylpropanoylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide (CID 155074290) is 2-methoxy-5-[2-(2-methylpropanoylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-5-[2-(2-methylpropanoylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-5-[2-(2-methylpropanoylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide is COc1ncc(-c2ccc3nc(NC(=O)C(C)C)cn3n2)cc1C(=O)NCc1ccccc1OC(F)(F)F.
What is the InChIKey of 2-methoxy-5-[2-(2-methylpropanoylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is HEQOZPOBLOOTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N6O4/c1-14(2)22(35)32-20-13-34-21(31-20)9-8-18(33-34)16-10-17(24(37-3)30-12-16)23(36)29-11-15-6-4-5-7-19(15)38-25(26,27)28/h4-10,12-14H,11H2,1-3H3,(H,29,36)(H,32,35).
What are the key properties of 2-methoxy-5-[2-(2-methylpropanoylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide?
2-methoxy-5-[2-(2-methylpropanoylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 528.49 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[2-(2-methylpropanoylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 155074290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).