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

C24H21F6N9 — CID 57446871

IUPAC3-[6-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
SMILESCN1CCC(Nc2cc(C(F)(F)F)c(-c3cnc4c(Nc5ccc(C(F)(F)F)cn5)ccnc4n3)nn2)CC1
InChIInChI=1S/C24H21F6N9/c1-39-8-5-14(6-9-39)34-19-10-15(24(28,29)30)20(38-37-19)17-12-33-21-16(4-7-31-22(21)36-17)35-18-3-2-13(11-32-18)23(25,26)27/h2-4,7,10-12,14H,5-6,8-9H2,1H3,(H,34,37)(H,31,32,35,36)
InChIKeyDSXHDUPYTHLISE-UHFFFAOYSA-N
MW549.48 g/mol
LogP5.16
Rot. Bonds5

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

3-[6-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine (PubChem CID 57446871) has the molecular formula C24H21F6N9 and a molecular weight of 549.48 g/mol. Its IUPAC name is 3-[6-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine.

Molecular Properties

Compound Name3-[6-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
PubChem CID57446871
Molecular FormulaC24H21F6N9
Molecular Weight549.48 g/mol
Exact Mass549.18
IUPAC Name3-[6-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
SMILESCN1CCC(Nc2cc(C(F)(F)F)c(-c3cnc4c(Nc5ccc(C(F)(F)F)cn5)ccnc4n3)nn2)CC1
InChIInChI=1S/C24H21F6N9/c1-39-8-5-14(6-9-39)34-19-10-15(24(28,29)30)20(38-37-19)17-12-33-21-16(4-7-31-22(21)36-17)35-18-3-2-13(11-32-18)23(25,26)27/h2-4,7,10-12,14H,5-6,8-9H2,1H3,(H,34,37)(H,31,32,35,36)
InChIKeyDSXHDUPYTHLISE-UHFFFAOYSA-N
XLogP5.16
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.48
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The IUPAC name of 3-[6-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine (CID 57446871) is 3-[6-[(1-methylpiperidin-4-yl)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-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The canonical SMILES for 3-[6-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine is CN1CCC(Nc2cc(C(F)(F)F)c(-c3cnc4c(Nc5ccc(C(F)(F)F)cn5)ccnc4n3)nn2)CC1.
What is the InChIKey of 3-[6-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The InChIKey is DSXHDUPYTHLISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F6N9/c1-39-8-5-14(6-9-39)34-19-10-15(24(28,29)30)20(38-37-19)17-12-33-21-16(4-7-31-22(21)36-17)35-18-3-2-13(11-32-18)23(25,26)27/h2-4,7,10-12,14H,5-6,8-9H2,1H3,(H,34,37)(H,31,32,35,36).
What are the key properties of 3-[6-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
3-[6-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine has a molecular weight of 549.48 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine is sourced from PubChem (CID 57446871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).