6-[[6-(cyclohexylamino)-3-[(3-fluoro-4-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-8-yl]amino]pyridine-3-carboxylic acid

C24H23FN8O3 — CID 143846752

IUPAC6-[[6-(cyclohexylamino)-3-[(3-fluoro-4-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-8-yl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Nc2cc(NC3CCCCC3)nn3c(C(=O)Nc4ccncc4F)cnc23)nc1
InChIInChI=1S/C24H23FN8O3/c25-16-12-26-9-8-17(16)31-23(34)19-13-28-22-18(30-20-7-6-14(11-27-20)24(35)36)10-21(32-33(19)22)29-15-4-2-1-3-5-15/h6-13,15H,1-5H2,(H,27,30)(H,29,32)(H,35,36)(H,26,31,34)
InChIKeyJVNYBZYAKVGGTB-UHFFFAOYSA-N
MW490.50 g/mol
LogP4.10
Rot. Bonds7

About 6-[[6-(cyclohexylamino)-3-[(3-fluoro-4-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-8-yl]amino]pyridine-3-carboxylic acid

6-[[6-(cyclohexylamino)-3-[(3-fluoro-4-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-8-yl]amino]pyridine-3-carboxylic acid (PubChem CID 143846752) has the molecular formula C24H23FN8O3 and a molecular weight of 490.50 g/mol. Its IUPAC name is 6-[[6-(cyclohexylamino)-3-[(3-fluoro-4-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-8-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[6-(cyclohexylamino)-3-[(3-fluoro-4-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-8-yl]amino]pyridine-3-carboxylic acid
PubChem CID143846752
Molecular FormulaC24H23FN8O3
Molecular Weight490.50 g/mol
Exact Mass490.19
IUPAC Name6-[[6-(cyclohexylamino)-3-[(3-fluoro-4-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-8-yl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Nc2cc(NC3CCCCC3)nn3c(C(=O)Nc4ccncc4F)cnc23)nc1
InChIInChI=1S/C24H23FN8O3/c25-16-12-26-9-8-17(16)31-23(34)19-13-28-22-18(30-20-7-6-14(11-27-20)24(35)36)10-21(32-33(19)22)29-15-4-2-1-3-5-15/h6-13,15H,1-5H2,(H,27,30)(H,29,32)(H,35,36)(H,26,31,34)
InChIKeyJVNYBZYAKVGGTB-UHFFFAOYSA-N
XLogP4.10
TPSA146.43 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.50
LogP ≤ 54.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

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Related Compounds

5-(2-(2-fluoropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
CID 67774901
5-(2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
CID 67775229
5-(2-(2-fluoropyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
CID 67775880
2-[(2-Phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyridine-3-carboxylic acid
CID 165415004
4-Anilino-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 44562252
6-[(8-Cyclopentyl-10-oxo-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-5-yl)amino]pyridine-3-carboxylic acid
CID 58299691
3-(8-(6-(3,5-Dimethylpiperidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)benzoic acid
CID 71525361
1-methyl-5-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-ylcarbamoyl)-1H-pyrazole-4-carboxylic acid
CID 71537576
N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(3-methylimidazo[1,2-b]pyridazin-6-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 90155225
4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyridine-3-carboxamide
CID 90155226
4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(3-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyridine-3-carboxamide
CID 90155471
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 118206707

Frequently Asked Questions

What is the IUPAC name of 6-[[6-(cyclohexylamino)-3-[(3-fluoro-4-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-8-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[6-(cyclohexylamino)-3-[(3-fluoro-4-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-8-yl]amino]pyridine-3-carboxylic acid (CID 143846752) is 6-[[6-(cyclohexylamino)-3-[(3-fluoro-4-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-8-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[6-(cyclohexylamino)-3-[(3-fluoro-4-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-8-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[6-(cyclohexylamino)-3-[(3-fluoro-4-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-8-yl]amino]pyridine-3-carboxylic acid is O=C(O)c1ccc(Nc2cc(NC3CCCCC3)nn3c(C(=O)Nc4ccncc4F)cnc23)nc1.
What is the InChIKey of 6-[[6-(cyclohexylamino)-3-[(3-fluoro-4-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-8-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is JVNYBZYAKVGGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN8O3/c25-16-12-26-9-8-17(16)31-23(34)19-13-28-22-18(30-20-7-6-14(11-27-20)24(35)36)10-21(32-33(19)22)29-15-4-2-1-3-5-15/h6-13,15H,1-5H2,(H,27,30)(H,29,32)(H,35,36)(H,26,31,34).
What are the key properties of 6-[[6-(cyclohexylamino)-3-[(3-fluoro-4-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-8-yl]amino]pyridine-3-carboxylic acid?
6-[[6-(cyclohexylamino)-3-[(3-fluoro-4-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-8-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 490.50 g/mol, XLogP of 4.10, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(cyclohexylamino)-3-[(3-fluoro-4-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-8-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 143846752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).