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

C24H20F6N8O — CID 58645750

IUPAC3-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
SMILESCOC[C@H]1CCCN1c1cc(C(F)(F)F)c(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)nn1
InChIInChI=1S/C24H20F6N8O/c1-39-12-14-3-2-8-38(14)19-9-15(24(28,29)30)20(37-36-19)17-11-33-21-16(6-7-31-22(21)35-17)34-18-5-4-13(10-32-18)23(25,26)27/h4-7,9-11,14H,2-3,8,12H2,1H3,(H,31,32,34,35)/t14-/m1/s1
InChIKeyAZNUMBBATNAMNG-CQSZACIVSA-N
MW550.47 g/mol
LogP5.27
Rot. Bonds6

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

3-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine (PubChem CID 58645750) has the molecular formula C24H20F6N8O and a molecular weight of 550.47 g/mol. Its IUPAC name is 3-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine.

Molecular Properties

Compound Name3-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
PubChem CID58645750
Molecular FormulaC24H20F6N8O
Molecular Weight550.47 g/mol
Exact Mass550.17
IUPAC Name3-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
SMILESCOC[C@H]1CCCN1c1cc(C(F)(F)F)c(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)nn1
InChIInChI=1S/C24H20F6N8O/c1-39-12-14-3-2-8-38(14)19-9-15(24(28,29)30)20(37-36-19)17-11-33-21-16(6-7-31-22(21)35-17)34-18-5-4-13(10-32-18)23(25,26)27/h4-7,9-11,14H,2-3,8,12H2,1H3,(H,31,32,34,35)/t14-/m1/s1
InChIKeyAZNUMBBATNAMNG-CQSZACIVSA-N
XLogP5.27
TPSA101.84 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.47
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[(2R)-2-(methoxymethyl)pyrrolidin-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-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine (CID 58645750) is 3-[6-[(2R)-2-(methoxymethyl)pyrrolidin-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-[(2R)-2-(methoxymethyl)pyrrolidin-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-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine is COC[C@H]1CCCN1c1cc(C(F)(F)F)c(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)nn1.
What is the InChIKey of 3-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The InChIKey is AZNUMBBATNAMNG-CQSZACIVSA-N. The full InChI is InChI=1S/C24H20F6N8O/c1-39-12-14-3-2-8-38(14)19-9-15(24(28,29)30)20(37-36-19)17-11-33-21-16(6-7-31-22(21)35-17)34-18-5-4-13(10-32-18)23(25,26)27/h4-7,9-11,14H,2-3,8,12H2,1H3,(H,31,32,34,35)/t14-/m1/s1.
What are the key properties of 3-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
3-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine has a molecular weight of 550.47 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine is sourced from PubChem (CID 58645750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).