2-(5-amino-6-fluoropyrazin-2-yl)-6-(6-ethoxy-3-pyridinyl)-3-fluoro-N-(2-methyl-2-azabicyclo[2.2.2]octan-4-yl)pyridine-4-carboxamide

C25H27F2N7O2 — CID 178093448

IUPAC2-(5-amino-6-fluoropyrazin-2-yl)-6-(6-ethoxy-3-pyridinyl)-3-fluoro-N-(2-methyl-2-azabicyclo[2.2.2]octan-4-yl)pyridine-4-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)NC34CCC(CC3)N(C)C4)c(F)c(-c3cnc(N)c(F)n3)n2)cn1
InChIInChI=1S/C25H27F2N7O2/c1-3-36-19-5-4-14(11-29-19)17-10-16(20(26)21(31-17)18-12-30-23(28)22(27)32-18)24(35)33-25-8-6-15(7-9-25)34(2)13-25/h4-5,10-12,15H,3,6-9,13H2,1-2H3,(H2,28,30)(H,33,35)
InChIKeyLTTUMBNADRQCCC-UHFFFAOYSA-N
MW495.53 g/mol
LogP3.22
Rot. Bonds6

About 2-(5-amino-6-fluoropyrazin-2-yl)-6-(6-ethoxy-3-pyridinyl)-3-fluoro-N-(2-methyl-2-azabicyclo[2.2.2]octan-4-yl)pyridine-4-carboxamide

2-(5-amino-6-fluoropyrazin-2-yl)-6-(6-ethoxy-3-pyridinyl)-3-fluoro-N-(2-methyl-2-azabicyclo[2.2.2]octan-4-yl)pyridine-4-carboxamide (PubChem CID 178093448) has the molecular formula C25H27F2N7O2 and a molecular weight of 495.53 g/mol. Its IUPAC name is 2-(5-amino-6-fluoropyrazin-2-yl)-6-(6-ethoxy-3-pyridinyl)-3-fluoro-N-(2-methyl-2-azabicyclo[2.2.2]octan-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(5-amino-6-fluoropyrazin-2-yl)-6-(6-ethoxy-3-pyridinyl)-3-fluoro-N-(2-methyl-2-azabicyclo[2.2.2]octan-4-yl)pyridine-4-carboxamide
PubChem CID178093448
Molecular FormulaC25H27F2N7O2
Molecular Weight495.53 g/mol
Exact Mass495.22
IUPAC Name2-(5-amino-6-fluoropyrazin-2-yl)-6-(6-ethoxy-3-pyridinyl)-3-fluoro-N-(2-methyl-2-azabicyclo[2.2.2]octan-4-yl)pyridine-4-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)NC34CCC(CC3)N(C)C4)c(F)c(-c3cnc(N)c(F)n3)n2)cn1
InChIInChI=1S/C25H27F2N7O2/c1-3-36-19-5-4-14(11-29-19)17-10-16(20(26)21(31-17)18-12-30-23(28)22(27)32-18)24(35)33-25-8-6-15(7-9-25)34(2)13-25/h4-5,10-12,15H,3,6-9,13H2,1-2H3,(H2,28,30)(H,33,35)
InChIKeyLTTUMBNADRQCCC-UHFFFAOYSA-N
XLogP3.22
TPSA119.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.53
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(5-amino-6-fluoropyrazin-2-yl)-6-(6-ethoxy-3-pyridinyl)-3-fluoro-N-(2-methyl-2-azabicyclo[2.2.2]octan-4-yl)pyridine-4-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 2-(5-amino-6-fluoropyrazin-2-yl)-6-(6-ethoxy-3-pyridinyl)-3-fluoro-N-(2-methyl-2-azabicyclo[2.2.2]octan-4-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(5-amino-6-fluoropyrazin-2-yl)-6-(6-ethoxy-3-pyridinyl)-3-fluoro-N-(2-methyl-2-azabicyclo[2.2.2]octan-4-yl)pyridine-4-carboxamide (CID 178093448) is 2-(5-amino-6-fluoropyrazin-2-yl)-6-(6-ethoxy-3-pyridinyl)-3-fluoro-N-(2-methyl-2-azabicyclo[2.2.2]octan-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(5-amino-6-fluoropyrazin-2-yl)-6-(6-ethoxy-3-pyridinyl)-3-fluoro-N-(2-methyl-2-azabicyclo[2.2.2]octan-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(5-amino-6-fluoropyrazin-2-yl)-6-(6-ethoxy-3-pyridinyl)-3-fluoro-N-(2-methyl-2-azabicyclo[2.2.2]octan-4-yl)pyridine-4-carboxamide is CCOc1ccc(-c2cc(C(=O)NC34CCC(CC3)N(C)C4)c(F)c(-c3cnc(N)c(F)n3)n2)cn1.
What is the InChIKey of 2-(5-amino-6-fluoropyrazin-2-yl)-6-(6-ethoxy-3-pyridinyl)-3-fluoro-N-(2-methyl-2-azabicyclo[2.2.2]octan-4-yl)pyridine-4-carboxamide?
The InChIKey is LTTUMBNADRQCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N7O2/c1-3-36-19-5-4-14(11-29-19)17-10-16(20(26)21(31-17)18-12-30-23(28)22(27)32-18)24(35)33-25-8-6-15(7-9-25)34(2)13-25/h4-5,10-12,15H,3,6-9,13H2,1-2H3,(H2,28,30)(H,33,35).
What are the key properties of 2-(5-amino-6-fluoropyrazin-2-yl)-6-(6-ethoxy-3-pyridinyl)-3-fluoro-N-(2-methyl-2-azabicyclo[2.2.2]octan-4-yl)pyridine-4-carboxamide?
2-(5-amino-6-fluoropyrazin-2-yl)-6-(6-ethoxy-3-pyridinyl)-3-fluoro-N-(2-methyl-2-azabicyclo[2.2.2]octan-4-yl)pyridine-4-carboxamide has a molecular weight of 495.53 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-6-fluoropyrazin-2-yl)-6-(6-ethoxy-3-pyridinyl)-3-fluoro-N-(2-methyl-2-azabicyclo[2.2.2]octan-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 178093448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).