5-[(2R)-4-[4,5-dimethyl-6-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]-2-methylpiperazin-1-yl]-N-phenyl-N-propan-2-ylpyrazine-2-carboxamide

C32H34F3N7O — CID 59191505

IUPAC5-[(2R)-4-[4,5-dimethyl-6-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]-2-methylpiperazin-1-yl]-N-phenyl-N-propan-2-ylpyrazine-2-carboxamide
SMILESCc1c(-c2ccc(C(F)(F)F)cc2)nnc(N2CCN(c3cnc(C(=O)N(c4ccccc4)C(C)C)cn3)[C@H](C)C2)c1C
InChIInChI=1S/C32H34F3N7O/c1-20(2)42(26-9-7-6-8-10-26)31(43)27-17-37-28(18-36-27)41-16-15-40(19-21(41)3)30-23(5)22(4)29(38-39-30)24-11-13-25(14-12-24)32(33,34)35/h6-14,17-18,20-21H,15-16,19H2,1-5H3/t21-/m1/s1
InChIKeyQRUXAUDVXVLKOY-OAQYLSRUSA-N
MW589.67 g/mol
LogP6.34
Rot. Bonds6

About 5-[(2R)-4-[4,5-dimethyl-6-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]-2-methylpiperazin-1-yl]-N-phenyl-N-propan-2-ylpyrazine-2-carboxamide

5-[(2R)-4-[4,5-dimethyl-6-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]-2-methylpiperazin-1-yl]-N-phenyl-N-propan-2-ylpyrazine-2-carboxamide (PubChem CID 59191505) has the molecular formula C32H34F3N7O and a molecular weight of 589.67 g/mol. Its IUPAC name is 5-[(2R)-4-[4,5-dimethyl-6-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]-2-methylpiperazin-1-yl]-N-phenyl-N-propan-2-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(2R)-4-[4,5-dimethyl-6-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]-2-methylpiperazin-1-yl]-N-phenyl-N-propan-2-ylpyrazine-2-carboxamide
PubChem CID59191505
Molecular FormulaC32H34F3N7O
Molecular Weight589.67 g/mol
Exact Mass589.28
IUPAC Name5-[(2R)-4-[4,5-dimethyl-6-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]-2-methylpiperazin-1-yl]-N-phenyl-N-propan-2-ylpyrazine-2-carboxamide
SMILESCc1c(-c2ccc(C(F)(F)F)cc2)nnc(N2CCN(c3cnc(C(=O)N(c4ccccc4)C(C)C)cn3)[C@H](C)C2)c1C
InChIInChI=1S/C32H34F3N7O/c1-20(2)42(26-9-7-6-8-10-26)31(43)27-17-37-28(18-36-27)41-16-15-40(19-21(41)3)30-23(5)22(4)29(38-39-30)24-11-13-25(14-12-24)32(33,34)35/h6-14,17-18,20-21H,15-16,19H2,1-5H3/t21-/m1/s1
InChIKeyQRUXAUDVXVLKOY-OAQYLSRUSA-N
XLogP6.34
TPSA78.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.67
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-4-[4,5-dimethyl-6-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]-2-methylpiperazin-1-yl]-N-phenyl-N-propan-2-ylpyrazine-2-carboxamide?
The IUPAC name of 5-[(2R)-4-[4,5-dimethyl-6-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]-2-methylpiperazin-1-yl]-N-phenyl-N-propan-2-ylpyrazine-2-carboxamide (CID 59191505) is 5-[(2R)-4-[4,5-dimethyl-6-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]-2-methylpiperazin-1-yl]-N-phenyl-N-propan-2-ylpyrazine-2-carboxamide.
What is the SMILES notation for 5-[(2R)-4-[4,5-dimethyl-6-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]-2-methylpiperazin-1-yl]-N-phenyl-N-propan-2-ylpyrazine-2-carboxamide?
The canonical SMILES for 5-[(2R)-4-[4,5-dimethyl-6-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]-2-methylpiperazin-1-yl]-N-phenyl-N-propan-2-ylpyrazine-2-carboxamide is Cc1c(-c2ccc(C(F)(F)F)cc2)nnc(N2CCN(c3cnc(C(=O)N(c4ccccc4)C(C)C)cn3)[C@H](C)C2)c1C.
What is the InChIKey of 5-[(2R)-4-[4,5-dimethyl-6-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]-2-methylpiperazin-1-yl]-N-phenyl-N-propan-2-ylpyrazine-2-carboxamide?
The InChIKey is QRUXAUDVXVLKOY-OAQYLSRUSA-N. The full InChI is InChI=1S/C32H34F3N7O/c1-20(2)42(26-9-7-6-8-10-26)31(43)27-17-37-28(18-36-27)41-16-15-40(19-21(41)3)30-23(5)22(4)29(38-39-30)24-11-13-25(14-12-24)32(33,34)35/h6-14,17-18,20-21H,15-16,19H2,1-5H3/t21-/m1/s1.
What are the key properties of 5-[(2R)-4-[4,5-dimethyl-6-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]-2-methylpiperazin-1-yl]-N-phenyl-N-propan-2-ylpyrazine-2-carboxamide?
5-[(2R)-4-[4,5-dimethyl-6-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]-2-methylpiperazin-1-yl]-N-phenyl-N-propan-2-ylpyrazine-2-carboxamide has a molecular weight of 589.67 g/mol, XLogP of 6.34, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-4-[4,5-dimethyl-6-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]-2-methylpiperazin-1-yl]-N-phenyl-N-propan-2-ylpyrazine-2-carboxamide is sourced from PubChem (CID 59191505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).