N-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyridine-4-carboxamide

C20H16ClN5O — CID 24753236

IUPACN-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyridine-4-carboxamide
SMILESCc1ccc(-c2nc3ccc(Cl)nn3c2CNC(=O)c2ccncc2)cc1
InChIInChI=1S/C20H16ClN5O/c1-13-2-4-14(5-3-13)19-16(26-18(24-19)7-6-17(21)25-26)12-23-20(27)15-8-10-22-11-9-15/h2-11H,12H2,1H3,(H,23,27)
InChIKeyBTKGCDAXAFROKO-UHFFFAOYSA-N
MW377.84 g/mol
LogP3.68
Rot. Bonds4

About N-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyridine-4-carboxamide

N-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyridine-4-carboxamide (PubChem CID 24753236) has the molecular formula C20H16ClN5O and a molecular weight of 377.84 g/mol. Its IUPAC name is N-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyridine-4-carboxamide
PubChem CID24753236
Molecular FormulaC20H16ClN5O
Molecular Weight377.84 g/mol
Exact Mass377.10
IUPAC NameN-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyridine-4-carboxamide
SMILESCc1ccc(-c2nc3ccc(Cl)nn3c2CNC(=O)c2ccncc2)cc1
InChIInChI=1S/C20H16ClN5O/c1-13-2-4-14(5-3-13)19-16(26-18(24-19)7-6-17(21)25-26)12-23-20(27)15-8-10-22-11-9-15/h2-11H,12H2,1H3,(H,23,27)
InChIKeyBTKGCDAXAFROKO-UHFFFAOYSA-N
XLogP3.68
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.84
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxyphenyl) N-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]carbamate
CID 24754065
N-[[2-(4-tert-butylphenyl)-6-chloroimidazo[1,2-b]pyridazin-3-yl]methyl]-2-fluorobenzamide
CID 11743772
N-[[6-bromo-2-(4-tert-butylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]benzamide
CID 59445308
4-methyl-N-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]benzamide
CID 54857010
N-[[2-(3,4-dimethylphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]benzamide
CID 10320493
N-[[2-(4-methylphenyl)-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]-1,2-oxazole-5-carboxamide
CID 24753241
N-[2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-4-methylbenzamide
CID 52903854
N-[(2-naphthalen-2-yl-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl)methyl]benzamide
CID 10552957
N-[(6-methyl-2-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]acetamide
CID 10707880
1,5-dimethyl-N-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazole-3-carboxamide
CID 59781320
N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]pyridine-3-carboxamide
CID 53163111
N-[[6-chloro-2-(6-chloro-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]benzamide
CID 24944594

Frequently Asked Questions

What is the IUPAC name of N-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyridine-4-carboxamide (CID 24753236) is N-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyridine-4-carboxamide is Cc1ccc(-c2nc3ccc(Cl)nn3c2CNC(=O)c2ccncc2)cc1.
What is the InChIKey of N-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyridine-4-carboxamide?
The InChIKey is BTKGCDAXAFROKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O/c1-13-2-4-14(5-3-13)19-16(26-18(24-19)7-6-17(21)25-26)12-23-20(27)15-8-10-22-11-9-15/h2-11H,12H2,1H3,(H,23,27).
What are the key properties of N-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyridine-4-carboxamide?
N-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyridine-4-carboxamide has a molecular weight of 377.84 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 24753236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).