[1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamic acid

C15H18FN5O3 — CID 68993170

IUPAC[1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(CCn2c(=O)cnc3ccc(F)nc32)CC1
InChIInChI=1S/C15H18FN5O3/c16-12-2-1-11-14(19-12)21(13(22)9-17-11)8-7-20-5-3-10(4-6-20)18-15(23)24/h1-2,9-10,18H,3-8H2,(H,23,24)
InChIKeyLTTDGBYVEPVWNJ-UHFFFAOYSA-N
MW335.34 g/mol
LogP0.66
Rot. Bonds4

About [1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamic acid

[1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamic acid (PubChem CID 68993170) has the molecular formula C15H18FN5O3 and a molecular weight of 335.34 g/mol. Its IUPAC name is [1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamic acid
PubChem CID68993170
Molecular FormulaC15H18FN5O3
Molecular Weight335.34 g/mol
Exact Mass335.14
IUPAC Name[1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(CCn2c(=O)cnc3ccc(F)nc32)CC1
InChIInChI=1S/C15H18FN5O3/c16-12-2-1-11-14(19-12)21(13(22)9-17-11)8-7-20-5-3-10(4-6-20)18-15(23)24/h1-2,9-10,18H,3-8H2,(H,23,24)
InChIKeyLTTDGBYVEPVWNJ-UHFFFAOYSA-N
XLogP0.66
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamic acid?
The IUPAC name of [1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamic acid (CID 68993170) is [1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamic acid is O=C(O)NC1CCN(CCn2c(=O)cnc3ccc(F)nc32)CC1.
What is the InChIKey of [1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamic acid?
The InChIKey is LTTDGBYVEPVWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O3/c16-12-2-1-11-14(19-12)21(13(22)9-17-11)8-7-20-5-3-10(4-6-20)18-15(23)24/h1-2,9-10,18H,3-8H2,(H,23,24).
What are the key properties of [1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamic acid?
[1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamic acid has a molecular weight of 335.34 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 68993170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).