(4E,5E)-5-ethylidene-N,6-dimethyl-4-[(Z)-2-[4-[1-[(2S)-1-methylpiperidin-2-yl]ethenyl]piperazin-1-yl]pent-2-enylidene]pyridazin-3-amine

C25H40N6 — CID 166548879

IUPAC(4E,5E)-5-ethylidene-N,6-dimethyl-4-[(Z)-2-[4-[1-[(2S)-1-methylpiperidin-2-yl]ethenyl]piperazin-1-yl]pent-2-enylidene]pyridazin-3-amine
SMILESC=C([C@@H]1CCCCN1C)N1CCN(C(=C\CC)/C=c2/c(NC)nnc(C)/c2=C/C)CC1
InChIInChI=1S/C25H40N6/c1-7-11-21(18-23-22(8-2)19(3)27-28-25(23)26-5)31-16-14-30(15-17-31)20(4)24-12-9-10-13-29(24)6/h8,11,18,24H,4,7,9-10,12-17H2,1-3,5-6H3,(H,26,28)/b21-11-,22-8-,23-18+/t24-/m0/s1
InChIKeyZPCWYCDMASKRTB-XTLBQIIUSA-N
MW424.64 g/mol
LogP2.32
Rot. Bonds6

About (4E,5E)-5-ethylidene-N,6-dimethyl-4-[(Z)-2-[4-[1-[(2S)-1-methylpiperidin-2-yl]ethenyl]piperazin-1-yl]pent-2-enylidene]pyridazin-3-amine

(4E,5E)-5-ethylidene-N,6-dimethyl-4-[(Z)-2-[4-[1-[(2S)-1-methylpiperidin-2-yl]ethenyl]piperazin-1-yl]pent-2-enylidene]pyridazin-3-amine (PubChem CID 166548879) has the molecular formula C25H40N6 and a molecular weight of 424.64 g/mol. Its IUPAC name is (4E,5E)-5-ethylidene-N,6-dimethyl-4-[(Z)-2-[4-[1-[(2S)-1-methylpiperidin-2-yl]ethenyl]piperazin-1-yl]pent-2-enylidene]pyridazin-3-amine.

Molecular Properties

Compound Name(4E,5E)-5-ethylidene-N,6-dimethyl-4-[(Z)-2-[4-[1-[(2S)-1-methylpiperidin-2-yl]ethenyl]piperazin-1-yl]pent-2-enylidene]pyridazin-3-amine
PubChem CID166548879
Molecular FormulaC25H40N6
Molecular Weight424.64 g/mol
Exact Mass424.33
IUPAC Name(4E,5E)-5-ethylidene-N,6-dimethyl-4-[(Z)-2-[4-[1-[(2S)-1-methylpiperidin-2-yl]ethenyl]piperazin-1-yl]pent-2-enylidene]pyridazin-3-amine
SMILESC=C([C@@H]1CCCCN1C)N1CCN(C(=C\CC)/C=c2/c(NC)nnc(C)/c2=C/C)CC1
InChIInChI=1S/C25H40N6/c1-7-11-21(18-23-22(8-2)19(3)27-28-25(23)26-5)31-16-14-30(15-17-31)20(4)24-12-9-10-13-29(24)6/h8,11,18,24H,4,7,9-10,12-17H2,1-3,5-6H3,(H,26,28)/b21-11-,22-8-,23-18+/t24-/m0/s1
InChIKeyZPCWYCDMASKRTB-XTLBQIIUSA-N
XLogP2.32
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.64
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4E,5E)-5-ethylidene-N,6-dimethyl-4-[(Z)-2-[4-[1-[(2S)-1-methylpiperidin-2-yl]ethenyl]piperazin-1-yl]pent-2-enylidene]pyridazin-3-amine with MolForge

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Related Compounds

(4E,5E)-5-ethylidene-4-[2-[4-(3-fluoropropyl)piperazin-1-yl]prop-2-enylidene]-N,6-dimethylpyridazin-3-amine
CID 166548511
1-N-methyl-1-N-[7-(4-piperidin-1-ylcyclohepta-1,3-dien-1-yl)-2,3-dihydropyrido[3,4-b]pyrazin-5-yl]butane-1,3-diamine
CID 132039074
(Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylpent-2-en-2-amine;1-methylpiperidine
CID 166548434
(4E,5E)-5-ethylidene-N,6-dimethyl-4-[(Z)-2-(4-propan-2-ylpiperazin-1-yl)pent-2-enylidene]pyridazin-3-amine
CID 166548710
(3R)-N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N-methylpiperidin-3-amine
CID 166548813
(4E,5E)-4-[(Z)-2-(4-cyclopropylpiperazin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine
CID 166548845

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-5-ethylidene-N,6-dimethyl-4-[(Z)-2-[4-[1-[(2S)-1-methylpiperidin-2-yl]ethenyl]piperazin-1-yl]pent-2-enylidene]pyridazin-3-amine?
The IUPAC name of (4E,5E)-5-ethylidene-N,6-dimethyl-4-[(Z)-2-[4-[1-[(2S)-1-methylpiperidin-2-yl]ethenyl]piperazin-1-yl]pent-2-enylidene]pyridazin-3-amine (CID 166548879) is (4E,5E)-5-ethylidene-N,6-dimethyl-4-[(Z)-2-[4-[1-[(2S)-1-methylpiperidin-2-yl]ethenyl]piperazin-1-yl]pent-2-enylidene]pyridazin-3-amine.
What is the SMILES notation for (4E,5E)-5-ethylidene-N,6-dimethyl-4-[(Z)-2-[4-[1-[(2S)-1-methylpiperidin-2-yl]ethenyl]piperazin-1-yl]pent-2-enylidene]pyridazin-3-amine?
The canonical SMILES for (4E,5E)-5-ethylidene-N,6-dimethyl-4-[(Z)-2-[4-[1-[(2S)-1-methylpiperidin-2-yl]ethenyl]piperazin-1-yl]pent-2-enylidene]pyridazin-3-amine is C=C([C@@H]1CCCCN1C)N1CCN(C(=C\CC)/C=c2/c(NC)nnc(C)/c2=C/C)CC1.
What is the InChIKey of (4E,5E)-5-ethylidene-N,6-dimethyl-4-[(Z)-2-[4-[1-[(2S)-1-methylpiperidin-2-yl]ethenyl]piperazin-1-yl]pent-2-enylidene]pyridazin-3-amine?
The InChIKey is ZPCWYCDMASKRTB-XTLBQIIUSA-N. The full InChI is InChI=1S/C25H40N6/c1-7-11-21(18-23-22(8-2)19(3)27-28-25(23)26-5)31-16-14-30(15-17-31)20(4)24-12-9-10-13-29(24)6/h8,11,18,24H,4,7,9-10,12-17H2,1-3,5-6H3,(H,26,28)/b21-11-,22-8-,23-18+/t24-/m0/s1.
What are the key properties of (4E,5E)-5-ethylidene-N,6-dimethyl-4-[(Z)-2-[4-[1-[(2S)-1-methylpiperidin-2-yl]ethenyl]piperazin-1-yl]pent-2-enylidene]pyridazin-3-amine?
(4E,5E)-5-ethylidene-N,6-dimethyl-4-[(Z)-2-[4-[1-[(2S)-1-methylpiperidin-2-yl]ethenyl]piperazin-1-yl]pent-2-enylidene]pyridazin-3-amine has a molecular weight of 424.64 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-5-ethylidene-N,6-dimethyl-4-[(Z)-2-[4-[1-[(2S)-1-methylpiperidin-2-yl]ethenyl]piperazin-1-yl]pent-2-enylidene]pyridazin-3-amine is sourced from PubChem (CID 166548879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).