3-[6-[3-(dimethylamino)propoxy]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine

C23H20F6N8O — CID 58645588

IUPAC3-[6-[3-(dimethylamino)propoxy]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
SMILESCN(C)CCCOc1cc(C(F)(F)F)c(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)nn1
InChIInChI=1S/C23H20F6N8O/c1-37(2)8-3-9-38-18-10-14(23(27,28)29)19(36-35-18)16-12-32-20-15(6-7-30-21(20)34-16)33-17-5-4-13(11-31-17)22(24,25)26/h4-7,10-12H,3,8-9H2,1-2H3,(H,30,31,33,34)
InChIKeyPFWILVQCJHIRSO-UHFFFAOYSA-N
MW538.46 g/mol
LogP4.99
Rot. Bonds8

About 3-[6-[3-(dimethylamino)propoxy]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine

3-[6-[3-(dimethylamino)propoxy]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine (PubChem CID 58645588) has the molecular formula C23H20F6N8O and a molecular weight of 538.46 g/mol. Its IUPAC name is 3-[6-[3-(dimethylamino)propoxy]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine.

Molecular Properties

Compound Name3-[6-[3-(dimethylamino)propoxy]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
PubChem CID58645588
Molecular FormulaC23H20F6N8O
Molecular Weight538.46 g/mol
Exact Mass538.17
IUPAC Name3-[6-[3-(dimethylamino)propoxy]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
SMILESCN(C)CCCOc1cc(C(F)(F)F)c(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)nn1
InChIInChI=1S/C23H20F6N8O/c1-37(2)8-3-9-38-18-10-14(23(27,28)29)19(36-35-18)16-12-32-20-15(6-7-30-21(20)34-16)33-17-5-4-13(11-31-17)22(24,25)26/h4-7,10-12H,3,8-9H2,1-2H3,(H,30,31,33,34)
InChIKeyPFWILVQCJHIRSO-UHFFFAOYSA-N
XLogP4.99
TPSA101.84 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.46
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[3-(dimethylamino)propoxy]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The IUPAC name of 3-[6-[3-(dimethylamino)propoxy]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine (CID 58645588) is 3-[6-[3-(dimethylamino)propoxy]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine.
What is the SMILES notation for 3-[6-[3-(dimethylamino)propoxy]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The canonical SMILES for 3-[6-[3-(dimethylamino)propoxy]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine is CN(C)CCCOc1cc(C(F)(F)F)c(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)nn1.
What is the InChIKey of 3-[6-[3-(dimethylamino)propoxy]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The InChIKey is PFWILVQCJHIRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F6N8O/c1-37(2)8-3-9-38-18-10-14(23(27,28)29)19(36-35-18)16-12-32-20-15(6-7-30-21(20)34-16)33-17-5-4-13(11-31-17)22(24,25)26/h4-7,10-12H,3,8-9H2,1-2H3,(H,30,31,33,34).
What are the key properties of 3-[6-[3-(dimethylamino)propoxy]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
3-[6-[3-(dimethylamino)propoxy]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine has a molecular weight of 538.46 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[3-(dimethylamino)propoxy]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine is sourced from PubChem (CID 58645588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).