8-fluoro-N-[(3R,5S)-5-methylpiperidin-3-yl]pyrido[3,4-b]pyrazin-5-amine;hydrochloride

C13H17ClFN5 — CID 129251122

IUPAC8-fluoro-N-[(3R,5S)-5-methylpiperidin-3-yl]pyrido[3,4-b]pyrazin-5-amine;hydrochloride
SMILESC[C@@H]1CNC[C@H](Nc2ncc(F)c3nccnc23)C1.Cl
InChIInChI=1S/C13H16FN5.ClH/c1-8-4-9(6-15-5-8)19-13-12-11(10(14)7-18-13)16-2-3-17-12;/h2-3,7-9,15H,4-6H2,1H3,(H,18,19);1H/t8-,9+;/m0./s1
InChIKeyZPLPOXWMEIMVIA-OULXEKPRSA-N
MW297.76 g/mol
LogP2.00
Rot. Bonds2

About 8-fluoro-N-[(3R,5S)-5-methylpiperidin-3-yl]pyrido[3,4-b]pyrazin-5-amine;hydrochloride

8-fluoro-N-[(3R,5S)-5-methylpiperidin-3-yl]pyrido[3,4-b]pyrazin-5-amine;hydrochloride (PubChem CID 129251122) has the molecular formula C13H17ClFN5 and a molecular weight of 297.76 g/mol. Its IUPAC name is 8-fluoro-N-[(3R,5S)-5-methylpiperidin-3-yl]pyrido[3,4-b]pyrazin-5-amine;hydrochloride.

Molecular Properties

Compound Name8-fluoro-N-[(3R,5S)-5-methylpiperidin-3-yl]pyrido[3,4-b]pyrazin-5-amine;hydrochloride
PubChem CID129251122
Molecular FormulaC13H17ClFN5
Molecular Weight297.76 g/mol
Exact Mass297.12
IUPAC Name8-fluoro-N-[(3R,5S)-5-methylpiperidin-3-yl]pyrido[3,4-b]pyrazin-5-amine;hydrochloride
SMILESC[C@@H]1CNC[C@H](Nc2ncc(F)c3nccnc23)C1.Cl
InChIInChI=1S/C13H16FN5.ClH/c1-8-4-9(6-15-5-8)19-13-12-11(10(14)7-18-13)16-2-3-17-12;/h2-3,7-9,15H,4-6H2,1H3,(H,18,19);1H/t8-,9+;/m0./s1
InChIKeyZPLPOXWMEIMVIA-OULXEKPRSA-N
XLogP2.00
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-[(3R,5S)-5-methylpiperidin-3-yl]pyrido[3,4-b]pyrazin-5-amine;hydrochloride?
The IUPAC name of 8-fluoro-N-[(3R,5S)-5-methylpiperidin-3-yl]pyrido[3,4-b]pyrazin-5-amine;hydrochloride (CID 129251122) is 8-fluoro-N-[(3R,5S)-5-methylpiperidin-3-yl]pyrido[3,4-b]pyrazin-5-amine;hydrochloride.
What is the SMILES notation for 8-fluoro-N-[(3R,5S)-5-methylpiperidin-3-yl]pyrido[3,4-b]pyrazin-5-amine;hydrochloride?
The canonical SMILES for 8-fluoro-N-[(3R,5S)-5-methylpiperidin-3-yl]pyrido[3,4-b]pyrazin-5-amine;hydrochloride is C[C@@H]1CNC[C@H](Nc2ncc(F)c3nccnc23)C1.Cl.
What is the InChIKey of 8-fluoro-N-[(3R,5S)-5-methylpiperidin-3-yl]pyrido[3,4-b]pyrazin-5-amine;hydrochloride?
The InChIKey is ZPLPOXWMEIMVIA-OULXEKPRSA-N. The full InChI is InChI=1S/C13H16FN5.ClH/c1-8-4-9(6-15-5-8)19-13-12-11(10(14)7-18-13)16-2-3-17-12;/h2-3,7-9,15H,4-6H2,1H3,(H,18,19);1H/t8-,9+;/m0./s1.
What are the key properties of 8-fluoro-N-[(3R,5S)-5-methylpiperidin-3-yl]pyrido[3,4-b]pyrazin-5-amine;hydrochloride?
8-fluoro-N-[(3R,5S)-5-methylpiperidin-3-yl]pyrido[3,4-b]pyrazin-5-amine;hydrochloride has a molecular weight of 297.76 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-[(3R,5S)-5-methylpiperidin-3-yl]pyrido[3,4-b]pyrazin-5-amine;hydrochloride is sourced from PubChem (CID 129251122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).