3-[6-[3-[(dimethylamino)methyl]piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine

C26H25F6N9 — CID 58645716

IUPAC3-[6-[3-[(dimethylamino)methyl]piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
SMILESCN(C)CC1CCCN(c2cc(C(F)(F)F)c(-c3cnc4c(Nc5ccc(C(F)(F)F)cn5)ccnc4n3)nn2)C1
InChIInChI=1S/C26H25F6N9/c1-40(2)13-15-4-3-9-41(14-15)21-10-17(26(30,31)32)22(39-38-21)19-12-35-23-18(7-8-33-24(23)37-19)36-20-6-5-16(11-34-20)25(27,28)29/h5-8,10-12,15H,3-4,9,13-14H2,1-2H3,(H,33,34,36,37)
InChIKeyYDCGKECBBNONMU-UHFFFAOYSA-N
MW577.54 g/mol
LogP5.44
Rot. Bonds6

About 3-[6-[3-[(dimethylamino)methyl]piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine

3-[6-[3-[(dimethylamino)methyl]piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine (PubChem CID 58645716) has the molecular formula C26H25F6N9 and a molecular weight of 577.54 g/mol. Its IUPAC name is 3-[6-[3-[(dimethylamino)methyl]piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine.

Molecular Properties

Compound Name3-[6-[3-[(dimethylamino)methyl]piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
PubChem CID58645716
Molecular FormulaC26H25F6N9
Molecular Weight577.54 g/mol
Exact Mass577.21
IUPAC Name3-[6-[3-[(dimethylamino)methyl]piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
SMILESCN(C)CC1CCCN(c2cc(C(F)(F)F)c(-c3cnc4c(Nc5ccc(C(F)(F)F)cn5)ccnc4n3)nn2)C1
InChIInChI=1S/C26H25F6N9/c1-40(2)13-15-4-3-9-41(14-15)21-10-17(26(30,31)32)22(39-38-21)19-12-35-23-18(7-8-33-24(23)37-19)36-20-6-5-16(11-34-20)25(27,28)29/h5-8,10-12,15H,3-4,9,13-14H2,1-2H3,(H,33,34,36,37)
InChIKeyYDCGKECBBNONMU-UHFFFAOYSA-N
XLogP5.44
TPSA95.85 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.54
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[6-[3-[(dimethylamino)methyl]piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[3-[(dimethylamino)methyl]piperidin-1-yl]-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)methyl]piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine (CID 58645716) is 3-[6-[3-[(dimethylamino)methyl]piperidin-1-yl]-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)methyl]piperidin-1-yl]-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)methyl]piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine is CN(C)CC1CCCN(c2cc(C(F)(F)F)c(-c3cnc4c(Nc5ccc(C(F)(F)F)cn5)ccnc4n3)nn2)C1.
What is the InChIKey of 3-[6-[3-[(dimethylamino)methyl]piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The InChIKey is YDCGKECBBNONMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F6N9/c1-40(2)13-15-4-3-9-41(14-15)21-10-17(26(30,31)32)22(39-38-21)19-12-35-23-18(7-8-33-24(23)37-19)36-20-6-5-16(11-34-20)25(27,28)29/h5-8,10-12,15H,3-4,9,13-14H2,1-2H3,(H,33,34,36,37).
What are the key properties of 3-[6-[3-[(dimethylamino)methyl]piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
3-[6-[3-[(dimethylamino)methyl]piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine has a molecular weight of 577.54 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[3-[(dimethylamino)methyl]piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine is sourced from PubChem (CID 58645716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).