6-(4-methylpiperazin-1-yl)-2-(5-phenylthiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine

C26H24N6S — CID 127035953

IUPAC6-(4-methylpiperazin-1-yl)-2-(5-phenylthiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESCN1CCN(c2ccc3nc(-c4ccc(-c5ccccc5)s4)c(-c4ccncc4)n3n2)CC1
InChIInChI=1S/C26H24N6S/c1-30-15-17-31(18-16-30)24-10-9-23-28-25(26(32(23)29-24)20-11-13-27-14-12-20)22-8-7-21(33-22)19-5-3-2-4-6-19/h2-14H,15-18H2,1H3
InChIKeyVEKOIBRRCRBMOR-UHFFFAOYSA-N
MW452.59 g/mol
LogP4.94
Rot. Bonds4

About 6-(4-methylpiperazin-1-yl)-2-(5-phenylthiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine

6-(4-methylpiperazin-1-yl)-2-(5-phenylthiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine (PubChem CID 127035953) has the molecular formula C26H24N6S and a molecular weight of 452.59 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-2-(5-phenylthiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-2-(5-phenylthiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
PubChem CID127035953
Molecular FormulaC26H24N6S
Molecular Weight452.59 g/mol
Exact Mass452.18
IUPAC Name6-(4-methylpiperazin-1-yl)-2-(5-phenylthiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESCN1CCN(c2ccc3nc(-c4ccc(-c5ccccc5)s4)c(-c4ccncc4)n3n2)CC1
InChIInChI=1S/C26H24N6S/c1-30-15-17-31(18-16-30)24-10-9-23-28-25(26(32(23)29-24)20-11-13-27-14-12-20)22-8-7-21(33-22)19-5-3-2-4-6-19/h2-14H,15-18H2,1H3
InChIKeyVEKOIBRRCRBMOR-UHFFFAOYSA-N
XLogP4.94
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.59
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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TH1020
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12-methyl-4-phenyl-N-[2-(piperidin-1-yl)ethyl]-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823975
1-[1-({4-[3-phenyl-5-(1,3-thiazol-2-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24971394
5,8-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
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12-(5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
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5,7-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 44547515
5,8-Dimethyl-2-(2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl)(1,2,4)triazolo(1,5-a)pyridine
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5,8-Dimethyl-2-[2-(1-methyl-2-thiophen-2-ylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-2-(5-phenylthiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-2-(5-phenylthiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine (CID 127035953) is 6-(4-methylpiperazin-1-yl)-2-(5-phenylthiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-2-(5-phenylthiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-2-(5-phenylthiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine is CN1CCN(c2ccc3nc(-c4ccc(-c5ccccc5)s4)c(-c4ccncc4)n3n2)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-2-(5-phenylthiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The InChIKey is VEKOIBRRCRBMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6S/c1-30-15-17-31(18-16-30)24-10-9-23-28-25(26(32(23)29-24)20-11-13-27-14-12-20)22-8-7-21(33-22)19-5-3-2-4-6-19/h2-14H,15-18H2,1H3.
What are the key properties of 6-(4-methylpiperazin-1-yl)-2-(5-phenylthiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
6-(4-methylpiperazin-1-yl)-2-(5-phenylthiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine has a molecular weight of 452.59 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-2-(5-phenylthiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 127035953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).