5-(1-carbamoyl-5-methylpyrazol-3-yl)-N-pyrimidin-2-yl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide;N-pyrazin-2-yl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide;4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxylic acid

C64H56F9N21O8 — CID 87235833

IUPAC5-(1-carbamoyl-5-methylpyrazol-3-yl)-N-pyrimidin-2-yl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide;N-pyrazin-2-yl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide;4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxylic acid
SMILESCc1cc(-c2cnnc(C(=O)Nc3ncccn3)c2N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nn1C(N)=O.O=C(Nc1cnccn1)c1nnccc1N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1.O=C(O)c1nnccc1N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C26H23F3N10O3.C21H18F3N7O2.C17H15F3N4O3/c1-15-13-19(36-39(15)24(30)42)17-14-33-35-20(22(40)34-25-31-7-4-8-32-25)21(17)37-9-11-38(12-10-37)23(41)16-5-2-3-6-18(16)26(27,28)29;22-21(23,24)15-4-2-1-3-14(15)20(33)31-11-9-30(10-12-31)16-5-6-27-29-18(16)19(32)28-17-13-25-7-8-26-17;18-17(19,20)12-4-2-1-3-11(12)15(25)24-9-7-23(8-10-24)13-5-6-21-22-14(13)16(26)27/h2-8,13-14H,9-12H2,1H3,(H2,30,42)(H,31,32,34,40);1-8,13H,9-12H2,(H,26,28,32);1-6H,7-10H2,(H,26,27)
InChIKeyQZCRLPRQGBEPMC-UHFFFAOYSA-N
MW1418.27 g/mol
LogP7.25
Rot. Bonds12

About 5-(1-carbamoyl-5-methylpyrazol-3-yl)-N-pyrimidin-2-yl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide;N-pyrazin-2-yl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide;4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxylic acid

5-(1-carbamoyl-5-methylpyrazol-3-yl)-N-pyrimidin-2-yl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide;N-pyrazin-2-yl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide;4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxylic acid (PubChem CID 87235833) has the molecular formula C64H56F9N21O8 and a molecular weight of 1418.27 g/mol. Its IUPAC name is 5-(1-carbamoyl-5-methylpyrazol-3-yl)-N-pyrimidin-2-yl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide;N-pyrazin-2-yl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide;4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-carbamoyl-5-methylpyrazol-3-yl)-N-pyrimidin-2-yl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide;N-pyrazin-2-yl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide;4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxylic acid
PubChem CID87235833
Molecular FormulaC64H56F9N21O8
Molecular Weight1418.27 g/mol
Exact Mass1417.45
IUPAC Name5-(1-carbamoyl-5-methylpyrazol-3-yl)-N-pyrimidin-2-yl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide;N-pyrazin-2-yl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide;4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxylic acid
SMILESCc1cc(-c2cnnc(C(=O)Nc3ncccn3)c2N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nn1C(N)=O.O=C(Nc1cnccn1)c1nnccc1N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1.O=C(O)c1nnccc1N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C26H23F3N10O3.C21H18F3N7O2.C17H15F3N4O3/c1-15-13-19(36-39(15)24(30)42)17-14-33-35-20(22(40)34-25-31-7-4-8-32-25)21(17)37-9-11-38(12-10-37)23(41)16-5-2-3-6-18(16)26(27,28)29;22-21(23,24)15-4-2-1-3-14(15)20(33)31-11-9-30(10-12-31)16-5-6-27-29-18(16)19(32)28-17-13-25-7-8-26-17;18-17(19,20)12-4-2-1-3-11(12)15(25)24-9-7-23(8-10-24)13-5-6-21-22-14(13)16(26)27/h2-8,13-14H,9-12H2,1H3,(H2,30,42)(H,31,32,34,40);1-8,13H,9-12H2,(H,26,28,32);1-6H,7-10H2,(H,26,27)
InChIKeyQZCRLPRQGBEPMC-UHFFFAOYSA-N
XLogP7.25
TPSA355.96 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds12
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001418.27
LogP ≤ 57.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze 5-(1-carbamoyl-5-methylpyrazol-3-yl)-N-pyrimidin-2-yl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide;N-pyrazin-2-yl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide;4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(1-carbamoyl-5-methylpyrazol-3-yl)-N-pyrimidin-2-yl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide;N-pyrazin-2-yl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide;4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxylic acid?
The IUPAC name of 5-(1-carbamoyl-5-methylpyrazol-3-yl)-N-pyrimidin-2-yl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide;N-pyrazin-2-yl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide;4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxylic acid (CID 87235833) is 5-(1-carbamoyl-5-methylpyrazol-3-yl)-N-pyrimidin-2-yl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide;N-pyrazin-2-yl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide;4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxylic acid.
What is the SMILES notation for 5-(1-carbamoyl-5-methylpyrazol-3-yl)-N-pyrimidin-2-yl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide;N-pyrazin-2-yl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide;4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxylic acid?
The canonical SMILES for 5-(1-carbamoyl-5-methylpyrazol-3-yl)-N-pyrimidin-2-yl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide;N-pyrazin-2-yl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide;4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxylic acid is Cc1cc(-c2cnnc(C(=O)Nc3ncccn3)c2N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nn1C(N)=O.O=C(Nc1cnccn1)c1nnccc1N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1.O=C(O)c1nnccc1N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 5-(1-carbamoyl-5-methylpyrazol-3-yl)-N-pyrimidin-2-yl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide;N-pyrazin-2-yl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide;4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxylic acid?
The InChIKey is QZCRLPRQGBEPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N10O3.C21H18F3N7O2.C17H15F3N4O3/c1-15-13-19(36-39(15)24(30)42)17-14-33-35-20(22(40)34-25-31-7-4-8-32-25)21(17)37-9-11-38(12-10-37)23(41)16-5-2-3-6-18(16)26(27,28)29;22-21(23,24)15-4-2-1-3-14(15)20(33)31-11-9-30(10-12-31)16-5-6-27-29-18(16)19(32)28-17-13-25-7-8-26-17;18-17(19,20)12-4-2-1-3-11(12)15(25)24-9-7-23(8-10-24)13-5-6-21-22-14(13)16(26)27/h2-8,13-14H,9-12H2,1H3,(H2,30,42)(H,31,32,34,40);1-8,13H,9-12H2,(H,26,28,32);1-6H,7-10H2,(H,26,27).
What are the key properties of 5-(1-carbamoyl-5-methylpyrazol-3-yl)-N-pyrimidin-2-yl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide;N-pyrazin-2-yl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide;4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxylic acid?
5-(1-carbamoyl-5-methylpyrazol-3-yl)-N-pyrimidin-2-yl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide;N-pyrazin-2-yl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide;4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxylic acid has a molecular weight of 1418.27 g/mol, XLogP of 7.25, 12 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-carbamoyl-5-methylpyrazol-3-yl)-N-pyrimidin-2-yl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide;N-pyrazin-2-yl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide;4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxylic acid is sourced from PubChem (CID 87235833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).