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

C19H21ClN6 — CID 75076659

IUPAC3-(2-chloro-4-pyridinyl)-2-cyclopropyl-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine
SMILESCC1CN(c2ccc3nc(C4CC4)c(-c4ccnc(Cl)c4)n3n2)CCN1
InChIInChI=1S/C19H21ClN6/c1-12-11-25(9-8-21-12)17-5-4-16-23-18(13-2-3-13)19(26(16)24-17)14-6-7-22-15(20)10-14/h4-7,10,12-13,21H,2-3,8-9,11H2,1H3
InChIKeyPVNOMSMGWDMHHR-UHFFFAOYSA-N
MW368.87 g/mol
LogP3.12
Rot. Bonds3

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

3-(2-chloro-4-pyridinyl)-2-cyclopropyl-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine (PubChem CID 75076659) has the molecular formula C19H21ClN6 and a molecular weight of 368.87 g/mol. Its IUPAC name is 3-(2-chloro-4-pyridinyl)-2-cyclopropyl-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-(2-chloro-4-pyridinyl)-2-cyclopropyl-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine
PubChem CID75076659
Molecular FormulaC19H21ClN6
Molecular Weight368.87 g/mol
Exact Mass368.15
IUPAC Name3-(2-chloro-4-pyridinyl)-2-cyclopropyl-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine
SMILESCC1CN(c2ccc3nc(C4CC4)c(-c4ccnc(Cl)c4)n3n2)CCN1
InChIInChI=1S/C19H21ClN6/c1-12-11-25(9-8-21-12)17-5-4-16-23-18(13-2-3-13)19(26(16)24-17)14-6-7-22-15(20)10-14/h4-7,10,12-13,21H,2-3,8-9,11H2,1H3
InChIKeyPVNOMSMGWDMHHR-UHFFFAOYSA-N
XLogP3.12
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxy-4-pyridinyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]imidazo[1,2-b]pyridazine
CID 44818212
2-(cyclopropylmethyl)-3-(2-ethyl-4-pyridinyl)-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine
CID 67218084
2-cyclopropyl-6-piperazin-1-yl-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 44815798
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
2-methyl-4-[(3S)-3-methylpiperazin-1-yl]pyrimidine
CID 94586892
(3S)-1-(5-chloro-2-pyridinyl)-3-methylpiperazine
CID 94450635
2-[4-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-2-yl]propan-2-ol
CID 68516909
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
6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine
CID 68519598
[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

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-pyridinyl)-2-cyclopropyl-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine?
The IUPAC name of 3-(2-chloro-4-pyridinyl)-2-cyclopropyl-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine (CID 75076659) is 3-(2-chloro-4-pyridinyl)-2-cyclopropyl-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-(2-chloro-4-pyridinyl)-2-cyclopropyl-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-(2-chloro-4-pyridinyl)-2-cyclopropyl-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine is CC1CN(c2ccc3nc(C4CC4)c(-c4ccnc(Cl)c4)n3n2)CCN1.
What is the InChIKey of 3-(2-chloro-4-pyridinyl)-2-cyclopropyl-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine?
The InChIKey is PVNOMSMGWDMHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6/c1-12-11-25(9-8-21-12)17-5-4-16-23-18(13-2-3-13)19(26(16)24-17)14-6-7-22-15(20)10-14/h4-7,10,12-13,21H,2-3,8-9,11H2,1H3.
What are the key properties of 3-(2-chloro-4-pyridinyl)-2-cyclopropyl-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine?
3-(2-chloro-4-pyridinyl)-2-cyclopropyl-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine has a molecular weight of 368.87 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-pyridinyl)-2-cyclopropyl-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 75076659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).