3-[2-amino-3-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]-N-methylbenzamide

C19H15ClN6O — CID 59443502

IUPAC3-[2-amino-3-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2cnn3c(-c4ccnc(Cl)c4)c(N)nc3c2)c1
InChIInChI=1S/C19H15ClN6O/c1-22-19(27)13-4-2-3-11(7-13)14-9-16-25-18(21)17(26(16)24-10-14)12-5-6-23-15(20)8-12/h2-10H,21H2,1H3,(H,22,27)
InChIKeyAJBYRRNOHMLPJS-UHFFFAOYSA-N
MW378.82 g/mol
LogP3.05
Rot. Bonds3

About 3-[2-amino-3-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]-N-methylbenzamide

3-[2-amino-3-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]-N-methylbenzamide (PubChem CID 59443502) has the molecular formula C19H15ClN6O and a molecular weight of 378.82 g/mol. Its IUPAC name is 3-[2-amino-3-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[2-amino-3-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]-N-methylbenzamide
PubChem CID59443502
Molecular FormulaC19H15ClN6O
Molecular Weight378.82 g/mol
Exact Mass378.10
IUPAC Name3-[2-amino-3-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2cnn3c(-c4ccnc(Cl)c4)c(N)nc3c2)c1
InChIInChI=1S/C19H15ClN6O/c1-22-19(27)13-4-2-3-11(7-13)14-9-16-25-18(21)17(26(16)24-10-14)12-5-6-23-15(20)8-12/h2-10H,21H2,1H3,(H,22,27)
InChIKeyAJBYRRNOHMLPJS-UHFFFAOYSA-N
XLogP3.05
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

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Imidazopyridazin 1
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N-(3-chlorophenyl)-4-methyl-3-(2-pyrazolo[1,5-a]pyrimidin-6-ylethynyl)benzamide
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PF-06446846
CID 86271238
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4-(5-((Pyridin-3-ylmethyl)amino)pyrazolo[1,5-a]pyrimidin-3-yl)benzamide
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CID 24896573
4-amino-N-[3-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 44518504
5-amino-N-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063225
1-(2-chlorophenyl)-4-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 71153330
US10774086, Example 7
CID 134551551

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-3-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]-N-methylbenzamide?
The IUPAC name of 3-[2-amino-3-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]-N-methylbenzamide (CID 59443502) is 3-[2-amino-3-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[2-amino-3-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]-N-methylbenzamide?
The canonical SMILES for 3-[2-amino-3-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]-N-methylbenzamide is CNC(=O)c1cccc(-c2cnn3c(-c4ccnc(Cl)c4)c(N)nc3c2)c1.
What is the InChIKey of 3-[2-amino-3-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]-N-methylbenzamide?
The InChIKey is AJBYRRNOHMLPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN6O/c1-22-19(27)13-4-2-3-11(7-13)14-9-16-25-18(21)17(26(16)24-10-14)12-5-6-23-15(20)8-12/h2-10H,21H2,1H3,(H,22,27).
What are the key properties of 3-[2-amino-3-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]-N-methylbenzamide?
3-[2-amino-3-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]-N-methylbenzamide has a molecular weight of 378.82 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-3-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]-N-methylbenzamide is sourced from PubChem (CID 59443502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).