2-methyl-5-[2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxylic acid

C22H19N5O4 — CID 142580998

IUPAC2-methyl-5-[2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxylic acid
SMILESCc1ncc(-c2ccc3nc(NC(=O)COCc4ccccc4)cn3n2)cc1C(=O)O
InChIInChI=1S/C22H19N5O4/c1-14-17(22(29)30)9-16(10-23-14)18-7-8-20-24-19(11-27(20)26-18)25-21(28)13-31-12-15-5-3-2-4-6-15/h2-11H,12-13H2,1H3,(H,25,28)(H,29,30)
InChIKeyNDTFLXTWRNEXIC-UHFFFAOYSA-N
MW417.43 g/mol
LogP2.95
Rot. Bonds7

About 2-methyl-5-[2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxylic acid

2-methyl-5-[2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxylic acid (PubChem CID 142580998) has the molecular formula C22H19N5O4 and a molecular weight of 417.43 g/mol. Its IUPAC name is 2-methyl-5-[2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxylic acid
PubChem CID142580998
Molecular FormulaC22H19N5O4
Molecular Weight417.43 g/mol
Exact Mass417.14
IUPAC Name2-methyl-5-[2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxylic acid
SMILESCc1ncc(-c2ccc3nc(NC(=O)COCc4ccccc4)cn3n2)cc1C(=O)O
InChIInChI=1S/C22H19N5O4/c1-14-17(22(29)30)9-16(10-23-14)18-7-8-20-24-19(11-27(20)26-18)25-21(28)13-31-12-15-5-3-2-4-6-15/h2-11H,12-13H2,1H3,(H,25,28)(H,29,30)
InChIKeyNDTFLXTWRNEXIC-UHFFFAOYSA-N
XLogP2.95
TPSA118.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]-2-methylpyridine-3-carboxamide
CID 155074122
2-methoxy-5-[2-(prop-2-enoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxylic acid
CID 175439945
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]-2-ethoxyacetamide
CID 59251744
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-methylpyridine-3-carboxamide
CID 155074311
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
N-[6-(6-amino-5-ethoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]acetamide
CID 59251850
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]-2-methylpyridine-3-carboxamide
CID 155074344
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]-2-(methylamino)acetamide
CID 59252003
ethyl 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)pyridine-3-carboxylate
CID 142580915
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]propanamide
CID 59252057
1-[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea
CID 58243292
tert-butyl N-[2-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]amino]-2-oxoethyl]carbamate
CID 59251943

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxylic acid (CID 142580998) is 2-methyl-5-[2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxylic acid is Cc1ncc(-c2ccc3nc(NC(=O)COCc4ccccc4)cn3n2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxylic acid?
The InChIKey is NDTFLXTWRNEXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O4/c1-14-17(22(29)30)9-16(10-23-14)18-7-8-20-24-19(11-27(20)26-18)25-21(28)13-31-12-15-5-3-2-4-6-15/h2-11H,12-13H2,1H3,(H,25,28)(H,29,30).
What are the key properties of 2-methyl-5-[2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxylic acid?
2-methyl-5-[2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxylic acid has a molecular weight of 417.43 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 142580998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).