N-methyl-2-[methyl-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]amino]acetamide

C22H17F6N9O — CID 58645667

IUPACN-methyl-2-[methyl-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]amino]acetamide
SMILESCNC(=O)CN(C)c1cc(C(F)(F)F)c(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)nn1
InChIInChI=1S/C22H17F6N9O/c1-29-17(38)10-37(2)16-7-12(22(26,27)28)18(36-35-16)14-9-32-19-13(5-6-30-20(19)34-14)33-15-4-3-11(8-31-15)21(23,24)25/h3-9H,10H2,1-2H3,(H,29,38)(H,30,31,33,34)
InChIKeyQHKFPXONCAQREA-UHFFFAOYSA-N
MW537.43 g/mol
LogP3.84
Rot. Bonds6

About N-methyl-2-[methyl-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]amino]acetamide

N-methyl-2-[methyl-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]amino]acetamide (PubChem CID 58645667) has the molecular formula C22H17F6N9O and a molecular weight of 537.43 g/mol. Its IUPAC name is N-methyl-2-[methyl-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]amino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[methyl-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]amino]acetamide
PubChem CID58645667
Molecular FormulaC22H17F6N9O
Molecular Weight537.43 g/mol
Exact Mass537.15
IUPAC NameN-methyl-2-[methyl-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]amino]acetamide
SMILESCNC(=O)CN(C)c1cc(C(F)(F)F)c(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)nn1
InChIInChI=1S/C22H17F6N9O/c1-29-17(38)10-37(2)16-7-12(22(26,27)28)18(36-35-16)14-9-32-19-13(5-6-30-20(19)34-14)33-15-4-3-11(8-31-15)21(23,24)25/h3-9H,10H2,1-2H3,(H,29,38)(H,30,31,33,34)
InChIKeyQHKFPXONCAQREA-UHFFFAOYSA-N
XLogP3.84
TPSA121.71 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.43
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[methyl-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]amino]acetamide?
The IUPAC name of N-methyl-2-[methyl-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]amino]acetamide (CID 58645667) is N-methyl-2-[methyl-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]amino]acetamide.
What is the SMILES notation for N-methyl-2-[methyl-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]amino]acetamide?
The canonical SMILES for N-methyl-2-[methyl-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]amino]acetamide is CNC(=O)CN(C)c1cc(C(F)(F)F)c(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)nn1.
What is the InChIKey of N-methyl-2-[methyl-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]amino]acetamide?
The InChIKey is QHKFPXONCAQREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F6N9O/c1-29-17(38)10-37(2)16-7-12(22(26,27)28)18(36-35-16)14-9-32-19-13(5-6-30-20(19)34-14)33-15-4-3-11(8-31-15)21(23,24)25/h3-9H,10H2,1-2H3,(H,29,38)(H,30,31,33,34).
What are the key properties of N-methyl-2-[methyl-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]amino]acetamide?
N-methyl-2-[methyl-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]amino]acetamide has a molecular weight of 537.43 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[methyl-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]amino]acetamide is sourced from PubChem (CID 58645667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).