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

C24H22F6N8 — CID 57446898

IUPAC3-[6-[butyl(ethyl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
SMILESCCCCN(CC)c1cc(C(F)(F)F)c(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)nn1
InChIInChI=1S/C24H22F6N8/c1-3-5-10-38(4-2)19-11-15(24(28,29)30)20(37-36-19)17-13-33-21-16(8-9-31-22(21)35-17)34-18-7-6-14(12-32-18)23(25,26)27/h6-9,11-13H,3-5,10H2,1-2H3,(H,31,32,34,35)
InChIKeyCSLVATOSDYJJAF-UHFFFAOYSA-N
MW536.48 g/mol
LogP6.28
Rot. Bonds8

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

3-[6-[butyl(ethyl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine (PubChem CID 57446898) has the molecular formula C24H22F6N8 and a molecular weight of 536.48 g/mol. Its IUPAC name is 3-[6-[butyl(ethyl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine.

Molecular Properties

Compound Name3-[6-[butyl(ethyl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
PubChem CID57446898
Molecular FormulaC24H22F6N8
Molecular Weight536.48 g/mol
Exact Mass536.19
IUPAC Name3-[6-[butyl(ethyl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
SMILESCCCCN(CC)c1cc(C(F)(F)F)c(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)nn1
InChIInChI=1S/C24H22F6N8/c1-3-5-10-38(4-2)19-11-15(24(28,29)30)20(37-36-19)17-13-33-21-16(8-9-31-22(21)35-17)34-18-7-6-14(12-32-18)23(25,26)27/h6-9,11-13H,3-5,10H2,1-2H3,(H,31,32,34,35)
InChIKeyCSLVATOSDYJJAF-UHFFFAOYSA-N
XLogP6.28
TPSA92.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.48
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[butyl(ethyl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The IUPAC name of 3-[6-[butyl(ethyl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine (CID 57446898) is 3-[6-[butyl(ethyl)amino]-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-[butyl(ethyl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The canonical SMILES for 3-[6-[butyl(ethyl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine is CCCCN(CC)c1cc(C(F)(F)F)c(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)nn1.
What is the InChIKey of 3-[6-[butyl(ethyl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The InChIKey is CSLVATOSDYJJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F6N8/c1-3-5-10-38(4-2)19-11-15(24(28,29)30)20(37-36-19)17-13-33-21-16(8-9-31-22(21)35-17)34-18-7-6-14(12-32-18)23(25,26)27/h6-9,11-13H,3-5,10H2,1-2H3,(H,31,32,34,35).
What are the key properties of 3-[6-[butyl(ethyl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
3-[6-[butyl(ethyl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine has a molecular weight of 536.48 g/mol, XLogP of 6.28, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[butyl(ethyl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine is sourced from PubChem (CID 57446898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).