3,3-dimethylpiperazin-2-one;4-[6-(4-fluorophenyl)-8-(1-methylcyclopropyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;6-(4-fluorophenyl)-8-(1-methylcyclopropyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;molecular hydrogen

C46H56F2N10O5 — CID 159424037

IUPAC3,3-dimethylpiperazin-2-one;4-[6-(4-fluorophenyl)-8-(1-methylcyclopropyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;6-(4-fluorophenyl)-8-(1-methylcyclopropyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;molecular hydrogen
SMILESCC1(C)NCCNC1=O.CC1(c2cc(-c3ccc(F)cc3)nn3cc(C(=O)N4CCNC(=O)C4(C)C)nc23)CC1.CC1(c2cc(-c3ccc(F)cc3)nn3cc(C(=O)O)nc23)CC1.[H][H].[H][H].[H][H]
InChIInChI=1S/C23H24FN5O2.C17H14FN3O2.C6H12N2O.3H2/c1-22(2)21(31)25-10-11-28(22)20(30)18-13-29-19(26-18)16(23(3)8-9-23)12-17(27-29)14-4-6-15(24)7-5-14;1-17(6-7-17)12-8-13(10-2-4-11(18)5-3-10)20-21-9-14(16(22)23)19-15(12)21;1-6(2)5(9)7-3-4-8-6;;;/h4-7,12-13H,8-11H2,1-3H3,(H,25,31);2-5,8-9H,6-7H2,1H3,(H,22,23);8H,3-4H2,1-2H3,(H,7,9);3*1H
InChIKeyLQCSXEXIICUOAJ-UHFFFAOYSA-N
MW867.01 g/mol
LogP6.45
Rot. Bonds6

About 3,3-dimethylpiperazin-2-one;4-[6-(4-fluorophenyl)-8-(1-methylcyclopropyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;6-(4-fluorophenyl)-8-(1-methylcyclopropyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;molecular hydrogen

3,3-dimethylpiperazin-2-one;4-[6-(4-fluorophenyl)-8-(1-methylcyclopropyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;6-(4-fluorophenyl)-8-(1-methylcyclopropyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;molecular hydrogen (PubChem CID 159424037) has the molecular formula C46H56F2N10O5 and a molecular weight of 867.01 g/mol. Its IUPAC name is 3,3-dimethylpiperazin-2-one;4-[6-(4-fluorophenyl)-8-(1-methylcyclopropyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;6-(4-fluorophenyl)-8-(1-methylcyclopropyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;molecular hydrogen.

Molecular Properties

Compound Name3,3-dimethylpiperazin-2-one;4-[6-(4-fluorophenyl)-8-(1-methylcyclopropyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;6-(4-fluorophenyl)-8-(1-methylcyclopropyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;molecular hydrogen
PubChem CID159424037
Molecular FormulaC46H56F2N10O5
Molecular Weight867.01 g/mol
Exact Mass866.44
IUPAC Name3,3-dimethylpiperazin-2-one;4-[6-(4-fluorophenyl)-8-(1-methylcyclopropyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;6-(4-fluorophenyl)-8-(1-methylcyclopropyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;molecular hydrogen
SMILESCC1(C)NCCNC1=O.CC1(c2cc(-c3ccc(F)cc3)nn3cc(C(=O)N4CCNC(=O)C4(C)C)nc23)CC1.CC1(c2cc(-c3ccc(F)cc3)nn3cc(C(=O)O)nc23)CC1.[H][H].[H][H].[H][H]
InChIInChI=1S/C23H24FN5O2.C17H14FN3O2.C6H12N2O.3H2/c1-22(2)21(31)25-10-11-28(22)20(30)18-13-29-19(26-18)16(23(3)8-9-23)12-17(27-29)14-4-6-15(24)7-5-14;1-17(6-7-17)12-8-13(10-2-4-11(18)5-3-10)20-21-9-14(16(22)23)19-15(12)21;1-6(2)5(9)7-3-4-8-6;;;/h4-7,12-13H,8-11H2,1-3H3,(H,25,31);2-5,8-9H,6-7H2,1H3,(H,22,23);8H,3-4H2,1-2H3,(H,7,9);3*1H
InChIKeyLQCSXEXIICUOAJ-UHFFFAOYSA-N
XLogP6.45
TPSA188.22 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500867.01
LogP ≤ 56.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 3,3-dimethylpiperazin-2-one;4-[6-(4-fluorophenyl)-8-(1-methylcyclopropyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;6-(4-fluorophenyl)-8-(1-methylcyclopropyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;molecular hydrogen with MolForge

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Related Compounds

6-[3-(2,4-Difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 22031141
6-[3-(4-Fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 22031339
N-[(1R,3S)-3-[[3,5-difluoro-6-(5-fluoro-1-tritylpyrazolo[5,4-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-1-methylimidazole-4-carboxamide
CID 57388167
2-Tert-butyl-4-[[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]piperidine-1-carboxylic acid
CID 66688436
(2R)-2-tert-butyl-4-[[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]piperidine-1-carboxylic acid
CID 66688437
N-[(3R)-1-[7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]pentan-3-yl]-2-[N'-[3-(dimethylamino)propyl]-N-ethylcarbamimidoyl]-N-methyltriazole-4-carboxamide
CID 71136460
N-[3-[[3,5-difluoro-6-(5-fluoro-1-tritylpyrazolo[5,4-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-1-methylimidazole-4-carboxamide
CID 76534137
N-[(1R,3S)-3-[[5-fluoro-2-(1-tritylpyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-1-methyl-imidazole-4-carboxamide
CID 86707190
[2-[4-[3-(4-Fluorophenyl)-4-[2-[(2-fluoro-4-pyridinyl)methylamino]imidazo[1,2-b]pyridazin-6-yl]-1-methylpyrazol-5-yl]piperazin-1-yl]-2-oxoethyl]carbamic acid
CID 90240871
[2-[4-[3-(4-Fluorophenyl)-4-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-1-methylpyrazol-5-yl]piperazin-1-yl]-2-oxoethyl]carbamic acid
CID 90240872
(2,2-Dimethylpiperazin-1-yl)-[6-(4-fluorophenyl)-8-(1-methylcyclopropyl)imidazo[1,2-b]pyridazin-2-yl]methanone
CID 117977938
4-[6-(4-Fluorophenyl)-8-(1-methylcyclopropyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one
CID 117978068

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylpiperazin-2-one;4-[6-(4-fluorophenyl)-8-(1-methylcyclopropyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;6-(4-fluorophenyl)-8-(1-methylcyclopropyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;molecular hydrogen?
The IUPAC name of 3,3-dimethylpiperazin-2-one;4-[6-(4-fluorophenyl)-8-(1-methylcyclopropyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;6-(4-fluorophenyl)-8-(1-methylcyclopropyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;molecular hydrogen (CID 159424037) is 3,3-dimethylpiperazin-2-one;4-[6-(4-fluorophenyl)-8-(1-methylcyclopropyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;6-(4-fluorophenyl)-8-(1-methylcyclopropyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;molecular hydrogen.
What is the SMILES notation for 3,3-dimethylpiperazin-2-one;4-[6-(4-fluorophenyl)-8-(1-methylcyclopropyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;6-(4-fluorophenyl)-8-(1-methylcyclopropyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;molecular hydrogen?
The canonical SMILES for 3,3-dimethylpiperazin-2-one;4-[6-(4-fluorophenyl)-8-(1-methylcyclopropyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;6-(4-fluorophenyl)-8-(1-methylcyclopropyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;molecular hydrogen is CC1(C)NCCNC1=O.CC1(c2cc(-c3ccc(F)cc3)nn3cc(C(=O)N4CCNC(=O)C4(C)C)nc23)CC1.CC1(c2cc(-c3ccc(F)cc3)nn3cc(C(=O)O)nc23)CC1.[H][H].[H][H].[H][H].
What is the InChIKey of 3,3-dimethylpiperazin-2-one;4-[6-(4-fluorophenyl)-8-(1-methylcyclopropyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;6-(4-fluorophenyl)-8-(1-methylcyclopropyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;molecular hydrogen?
The InChIKey is LQCSXEXIICUOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2.C17H14FN3O2.C6H12N2O.3H2/c1-22(2)21(31)25-10-11-28(22)20(30)18-13-29-19(26-18)16(23(3)8-9-23)12-17(27-29)14-4-6-15(24)7-5-14;1-17(6-7-17)12-8-13(10-2-4-11(18)5-3-10)20-21-9-14(16(22)23)19-15(12)21;1-6(2)5(9)7-3-4-8-6;;;/h4-7,12-13H,8-11H2,1-3H3,(H,25,31);2-5,8-9H,6-7H2,1H3,(H,22,23);8H,3-4H2,1-2H3,(H,7,9);3*1H.
What are the key properties of 3,3-dimethylpiperazin-2-one;4-[6-(4-fluorophenyl)-8-(1-methylcyclopropyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;6-(4-fluorophenyl)-8-(1-methylcyclopropyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;molecular hydrogen?
3,3-dimethylpiperazin-2-one;4-[6-(4-fluorophenyl)-8-(1-methylcyclopropyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;6-(4-fluorophenyl)-8-(1-methylcyclopropyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;molecular hydrogen has a molecular weight of 867.01 g/mol, XLogP of 6.45, 6 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylpiperazin-2-one;4-[6-(4-fluorophenyl)-8-(1-methylcyclopropyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;6-(4-fluorophenyl)-8-(1-methylcyclopropyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;molecular hydrogen is sourced from PubChem (CID 159424037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).