2-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxylic acid

C18H13N5O2 — CID 122478532

IUPAC2-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxylic acid
SMILESCc1cccc(-c2ncccc2-c2nc3cccnn3c2C(=O)O)n1
InChIInChI=1S/C18H13N5O2/c1-11-5-2-7-13(21-11)15-12(6-3-9-19-15)16-17(18(24)25)23-14(22-16)8-4-10-20-23/h2-10H,1H3,(H,24,25)
InChIKeyFBTUWLRJCNUTFF-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.86
Rot. Bonds3

About 2-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxylic acid

2-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxylic acid (PubChem CID 122478532) has the molecular formula C18H13N5O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 2-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxylic acid
PubChem CID122478532
Molecular FormulaC18H13N5O2
Molecular Weight331.34 g/mol
Exact Mass331.11
IUPAC Name2-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxylic acid
SMILESCc1cccc(-c2ncccc2-c2nc3cccnn3c2C(=O)O)n1
InChIInChI=1S/C18H13N5O2/c1-11-5-2-7-13(21-11)15-12(6-3-9-19-15)16-17(18(24)25)23-14(22-16)8-4-10-20-23/h2-10H,1H3,(H,24,25)
InChIKeyFBTUWLRJCNUTFF-UHFFFAOYSA-N
XLogP2.86
TPSA93.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Methyl-7-[4-(trifluoromethyl)phenyl]-4,5,7,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2,5,9,11-pentaene-11-carboxylic acid
CID 157037619
2-[(E)-2-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)ethenyl]quinoline-3-carboxylic acid
CID 121596883
6-(pyridin-3-yl)-1-[(pyridin-4-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 16367113
2-[4-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-phenyl]-nicotinic acid
CID 44320733
3-(8-(6-(3,5-Dimethylpiperidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)benzoic acid
CID 71525361
3-(8-(6-(2-Methylpyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)benzoic acid
CID 71525520
3-(8-(6-(2-(Hydroxymethyl)pyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)benzoic acid
CID 71525709
3-[8-[(6-Pyrrolidin-1-yl-2-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]benzoic acid
CID 71525711
3-(8-(6-(2-(Methoxymethyl)pyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)benzoic acid
CID 71525898
(S)-3-(8-(6-(2-methylpyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)benzoic acid
CID 71526081
3-(8-(6-(2,5-Dimethylpyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)benzoic acid
CID 71526263
5-[8-morpholin-4-yl-2-[(E)-2-(5,6,7,8-tetrahydroquinolin-2-yl)ethenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid
CID 117728355

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxylic acid?
The IUPAC name of 2-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxylic acid (CID 122478532) is 2-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxylic acid.
What is the SMILES notation for 2-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxylic acid?
The canonical SMILES for 2-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxylic acid is Cc1cccc(-c2ncccc2-c2nc3cccnn3c2C(=O)O)n1.
What is the InChIKey of 2-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxylic acid?
The InChIKey is FBTUWLRJCNUTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O2/c1-11-5-2-7-13(21-11)15-12(6-3-9-19-15)16-17(18(24)25)23-14(22-16)8-4-10-20-23/h2-10H,1H3,(H,24,25).
What are the key properties of 2-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxylic acid?
2-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxylic acid has a molecular weight of 331.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxylic acid is sourced from PubChem (CID 122478532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).