2-(cyclopropylmethyl)-3-(2-ethyl-4-pyridinyl)-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine

C22H28N6 — CID 67218084

IUPAC2-(cyclopropylmethyl)-3-(2-ethyl-4-pyridinyl)-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine
SMILESCCc1cc(-c2c(CC3CC3)nc3ccc(N4CCNC(C)C4)nn23)ccn1
InChIInChI=1S/C22H28N6/c1-3-18-13-17(8-9-24-18)22-19(12-16-4-5-16)25-20-6-7-21(26-28(20)22)27-11-10-23-15(2)14-27/h6-9,13,15-16,23H,3-5,10-12,14H2,1-2H3
InChIKeyVOKXWFGICDNEPT-UHFFFAOYSA-N
MW376.51 g/mol
LogP3.10
Rot. Bonds5

About 2-(cyclopropylmethyl)-3-(2-ethyl-4-pyridinyl)-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine

2-(cyclopropylmethyl)-3-(2-ethyl-4-pyridinyl)-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine (PubChem CID 67218084) has the molecular formula C22H28N6 and a molecular weight of 376.51 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-3-(2-ethyl-4-pyridinyl)-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-3-(2-ethyl-4-pyridinyl)-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine
PubChem CID67218084
Molecular FormulaC22H28N6
Molecular Weight376.51 g/mol
Exact Mass376.24
IUPAC Name2-(cyclopropylmethyl)-3-(2-ethyl-4-pyridinyl)-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine
SMILESCCc1cc(-c2c(CC3CC3)nc3ccc(N4CCNC(C)C4)nn23)ccn1
InChIInChI=1S/C22H28N6/c1-3-18-13-17(8-9-24-18)22-19(12-16-4-5-16)25-20-6-7-21(26-28(20)22)27-11-10-23-15(2)14-27/h6-9,13,15-16,23H,3-5,10-12,14H2,1-2H3
InChIKeyVOKXWFGICDNEPT-UHFFFAOYSA-N
XLogP3.10
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(cyclopropylmethyl)-3-(2-ethyl-4-pyridinyl)-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine with MolForge

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Related Compounds

3-(2-chloro-4-pyridinyl)-2-cyclopropyl-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine
CID 75076659
3-(2-methoxy-4-pyridinyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]imidazo[1,2-b]pyridazine
CID 44818212
2-(4-fluorophenyl)-6-[(3S)-3-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 25143825
2-(3-fluorophenyl)-6-(3-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 68517521
4-(cyclopropylmethyl)-6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-2-amine
CID 42623653
[4-[6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]methanamine
CID 68517903
2-methyl-4-[(3S)-3-methylpiperazin-1-yl]pyrimidine
CID 94586892
2-[4-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-2-yl]propan-2-ol
CID 68516909
4-ethyl-2-[(3S)-3-methylpiperazin-1-yl]-1,3-thiazole
CID 94905443
N,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]pyrimidin-2-amine
CID 104976030
2-(3,5-difluorophenyl)-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 25144234
2-cyclopropyl-6-piperazin-1-yl-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 44815798

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-3-(2-ethyl-4-pyridinyl)-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine?
The IUPAC name of 2-(cyclopropylmethyl)-3-(2-ethyl-4-pyridinyl)-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine (CID 67218084) is 2-(cyclopropylmethyl)-3-(2-ethyl-4-pyridinyl)-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-(cyclopropylmethyl)-3-(2-ethyl-4-pyridinyl)-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 2-(cyclopropylmethyl)-3-(2-ethyl-4-pyridinyl)-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine is CCc1cc(-c2c(CC3CC3)nc3ccc(N4CCNC(C)C4)nn23)ccn1.
What is the InChIKey of 2-(cyclopropylmethyl)-3-(2-ethyl-4-pyridinyl)-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine?
The InChIKey is VOKXWFGICDNEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6/c1-3-18-13-17(8-9-24-18)22-19(12-16-4-5-16)25-20-6-7-21(26-28(20)22)27-11-10-23-15(2)14-27/h6-9,13,15-16,23H,3-5,10-12,14H2,1-2H3.
What are the key properties of 2-(cyclopropylmethyl)-3-(2-ethyl-4-pyridinyl)-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine?
2-(cyclopropylmethyl)-3-(2-ethyl-4-pyridinyl)-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine has a molecular weight of 376.51 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-3-(2-ethyl-4-pyridinyl)-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 67218084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).