(3S,5R)-1-pyrido[2,3-b]pyrazin-8-yl-5-(trifluoromethyl)piperidin-3-amine

C13H14F3N5 — CID 129241267

IUPAC(3S,5R)-1-pyrido[2,3-b]pyrazin-8-yl-5-(trifluoromethyl)piperidin-3-amine
SMILESN[C@H]1C[C@@H](C(F)(F)F)CN(c2ccnc3nccnc23)C1
InChIInChI=1S/C13H14F3N5/c14-13(15,16)8-5-9(17)7-21(6-8)10-1-2-19-12-11(10)18-3-4-20-12/h1-4,8-9H,5-7,17H2/t8-,9+/m1/s1
InChIKeyJCIUVLIKRVQXRA-BDAKNGLRSA-N
MW297.28 g/mol
LogP1.74
Rot. Bonds1

About (3S,5R)-1-pyrido[2,3-b]pyrazin-8-yl-5-(trifluoromethyl)piperidin-3-amine

(3S,5R)-1-pyrido[2,3-b]pyrazin-8-yl-5-(trifluoromethyl)piperidin-3-amine (PubChem CID 129241267) has the molecular formula C13H14F3N5 and a molecular weight of 297.28 g/mol. Its IUPAC name is (3S,5R)-1-pyrido[2,3-b]pyrazin-8-yl-5-(trifluoromethyl)piperidin-3-amine.

Molecular Properties

Compound Name(3S,5R)-1-pyrido[2,3-b]pyrazin-8-yl-5-(trifluoromethyl)piperidin-3-amine
PubChem CID129241267
Molecular FormulaC13H14F3N5
Molecular Weight297.28 g/mol
Exact Mass297.12
IUPAC Name(3S,5R)-1-pyrido[2,3-b]pyrazin-8-yl-5-(trifluoromethyl)piperidin-3-amine
SMILESN[C@H]1C[C@@H](C(F)(F)F)CN(c2ccnc3nccnc23)C1
InChIInChI=1S/C13H14F3N5/c14-13(15,16)8-5-9(17)7-21(6-8)10-1-2-19-12-11(10)18-3-4-20-12/h1-4,8-9H,5-7,17H2/t8-,9+/m1/s1
InChIKeyJCIUVLIKRVQXRA-BDAKNGLRSA-N
XLogP1.74
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-pyrido[2,3-b]pyrazin-8-yl-5-(trifluoromethyl)piperidin-3-amine?
The IUPAC name of (3S,5R)-1-pyrido[2,3-b]pyrazin-8-yl-5-(trifluoromethyl)piperidin-3-amine (CID 129241267) is (3S,5R)-1-pyrido[2,3-b]pyrazin-8-yl-5-(trifluoromethyl)piperidin-3-amine.
What is the SMILES notation for (3S,5R)-1-pyrido[2,3-b]pyrazin-8-yl-5-(trifluoromethyl)piperidin-3-amine?
The canonical SMILES for (3S,5R)-1-pyrido[2,3-b]pyrazin-8-yl-5-(trifluoromethyl)piperidin-3-amine is N[C@H]1C[C@@H](C(F)(F)F)CN(c2ccnc3nccnc23)C1.
What is the InChIKey of (3S,5R)-1-pyrido[2,3-b]pyrazin-8-yl-5-(trifluoromethyl)piperidin-3-amine?
The InChIKey is JCIUVLIKRVQXRA-BDAKNGLRSA-N. The full InChI is InChI=1S/C13H14F3N5/c14-13(15,16)8-5-9(17)7-21(6-8)10-1-2-19-12-11(10)18-3-4-20-12/h1-4,8-9H,5-7,17H2/t8-,9+/m1/s1.
What are the key properties of (3S,5R)-1-pyrido[2,3-b]pyrazin-8-yl-5-(trifluoromethyl)piperidin-3-amine?
(3S,5R)-1-pyrido[2,3-b]pyrazin-8-yl-5-(trifluoromethyl)piperidin-3-amine has a molecular weight of 297.28 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-pyrido[2,3-b]pyrazin-8-yl-5-(trifluoromethyl)piperidin-3-amine is sourced from PubChem (CID 129241267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).