5-(4-fluoropiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide

C14H18FN7O — CID 145201394

IUPAC5-(4-fluoropiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
SMILESCn1cc(Nc2nc(N3CCC(F)CC3)cnc2C(N)=O)cn1
InChIInChI=1S/C14H18FN7O/c1-21-8-10(6-18-21)19-14-12(13(16)23)17-7-11(20-14)22-4-2-9(15)3-5-22/h6-9H,2-5H2,1H3,(H2,16,23)(H,19,20)
InChIKeyOEPYSFHWIWLGKK-UHFFFAOYSA-N
MW319.34 g/mol
LogP0.99
Rot. Bonds4

About 5-(4-fluoropiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide

5-(4-fluoropiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide (PubChem CID 145201394) has the molecular formula C14H18FN7O and a molecular weight of 319.34 g/mol. Its IUPAC name is 5-(4-fluoropiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluoropiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
PubChem CID145201394
Molecular FormulaC14H18FN7O
Molecular Weight319.34 g/mol
Exact Mass319.16
IUPAC Name5-(4-fluoropiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
SMILESCn1cc(Nc2nc(N3CCC(F)CC3)cnc2C(N)=O)cn1
InChIInChI=1S/C14H18FN7O/c1-21-8-10(6-18-21)19-14-12(13(16)23)17-7-11(20-14)22-4-2-9(15)3-5-22/h6-9H,2-5H2,1H3,(H2,16,23)(H,19,20)
InChIKeyOEPYSFHWIWLGKK-UHFFFAOYSA-N
XLogP0.99
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoropiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The IUPAC name of 5-(4-fluoropiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide (CID 145201394) is 5-(4-fluoropiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-fluoropiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The canonical SMILES for 5-(4-fluoropiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide is Cn1cc(Nc2nc(N3CCC(F)CC3)cnc2C(N)=O)cn1.
What is the InChIKey of 5-(4-fluoropiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The InChIKey is OEPYSFHWIWLGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN7O/c1-21-8-10(6-18-21)19-14-12(13(16)23)17-7-11(20-14)22-4-2-9(15)3-5-22/h6-9H,2-5H2,1H3,(H2,16,23)(H,19,20).
What are the key properties of 5-(4-fluoropiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
5-(4-fluoropiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide has a molecular weight of 319.34 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoropiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 145201394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).