N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,2-a]pyrazine-7-carboxamide

C14H19F2N5O2 — CID 166024329

IUPACN-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,2-a]pyrazine-7-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CCF)c1)N1CCN2CCNC2C1
InChIInChI=1S/C14H19F2N5O2/c15-1-3-20-8-10(7-11(16)13(20)22)18-14(23)21-6-5-19-4-2-17-12(19)9-21/h7-8,12,17H,1-6,9H2,(H,18,23)
InChIKeyTWIYDWDKJUSQLG-UHFFFAOYSA-N
MW327.34 g/mol
LogP0.04
Rot. Bonds3

About N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,2-a]pyrazine-7-carboxamide

N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,2-a]pyrazine-7-carboxamide (PubChem CID 166024329) has the molecular formula C14H19F2N5O2 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,2-a]pyrazine-7-carboxamide
PubChem CID166024329
Molecular FormulaC14H19F2N5O2
Molecular Weight327.34 g/mol
Exact Mass327.15
IUPAC NameN-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,2-a]pyrazine-7-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CCF)c1)N1CCN2CCNC2C1
InChIInChI=1S/C14H19F2N5O2/c15-1-3-20-8-10(7-11(16)13(20)22)18-14(23)21-6-5-19-4-2-17-12(19)9-21/h7-8,12,17H,1-6,9H2,(H,18,23)
InChIKeyTWIYDWDKJUSQLG-UHFFFAOYSA-N
XLogP0.04
TPSA69.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,2-a]pyrazine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,2-a]pyrazine-7-carboxamide (CID 166024329) is N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,2-a]pyrazine-7-carboxamide is O=C(Nc1cc(F)c(=O)n(CCF)c1)N1CCN2CCNC2C1.
What is the InChIKey of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,2-a]pyrazine-7-carboxamide?
The InChIKey is TWIYDWDKJUSQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N5O2/c15-1-3-20-8-10(7-11(16)13(20)22)18-14(23)21-6-5-19-4-2-17-12(19)9-21/h7-8,12,17H,1-6,9H2,(H,18,23).
What are the key properties of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,2-a]pyrazine-7-carboxamide?
N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,2-a]pyrazine-7-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 166024329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).