3-amino-N-[(6-cyano-2-pyridinyl)methyl]-6-(3-fluoroquinolin-6-yl)-5-phenylpyrazine-2-carboxamide

C27H18FN7O — CID 154656230

IUPAC3-amino-N-[(6-cyano-2-pyridinyl)methyl]-6-(3-fluoroquinolin-6-yl)-5-phenylpyrazine-2-carboxamide
SMILESN#Cc1cccc(CNC(=O)c2nc(-c3ccc4ncc(F)cc4c3)c(-c3ccccc3)nc2N)n1
InChIInChI=1S/C27H18FN7O/c28-19-12-18-11-17(9-10-22(18)31-14-19)24-23(16-5-2-1-3-6-16)35-26(30)25(34-24)27(36)32-15-21-8-4-7-20(13-29)33-21/h1-12,14H,15H2,(H2,30,35)(H,32,36)
InChIKeyRGFPMCKYHLQLGC-UHFFFAOYSA-N
MW475.49 g/mol
LogP4.28
Rot. Bonds5

About 3-amino-N-[(6-cyano-2-pyridinyl)methyl]-6-(3-fluoroquinolin-6-yl)-5-phenylpyrazine-2-carboxamide

3-amino-N-[(6-cyano-2-pyridinyl)methyl]-6-(3-fluoroquinolin-6-yl)-5-phenylpyrazine-2-carboxamide (PubChem CID 154656230) has the molecular formula C27H18FN7O and a molecular weight of 475.49 g/mol. Its IUPAC name is 3-amino-N-[(6-cyano-2-pyridinyl)methyl]-6-(3-fluoroquinolin-6-yl)-5-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(6-cyano-2-pyridinyl)methyl]-6-(3-fluoroquinolin-6-yl)-5-phenylpyrazine-2-carboxamide
PubChem CID154656230
Molecular FormulaC27H18FN7O
Molecular Weight475.49 g/mol
Exact Mass475.16
IUPAC Name3-amino-N-[(6-cyano-2-pyridinyl)methyl]-6-(3-fluoroquinolin-6-yl)-5-phenylpyrazine-2-carboxamide
SMILESN#Cc1cccc(CNC(=O)c2nc(-c3ccc4ncc(F)cc4c3)c(-c3ccccc3)nc2N)n1
InChIInChI=1S/C27H18FN7O/c28-19-12-18-11-17(9-10-22(18)31-14-19)24-23(16-5-2-1-3-6-16)35-26(30)25(34-24)27(36)32-15-21-8-4-7-20(13-29)33-21/h1-12,14H,15H2,(H2,30,35)(H,32,36)
InChIKeyRGFPMCKYHLQLGC-UHFFFAOYSA-N
XLogP4.28
TPSA130.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.49
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-amino-N-[(6-cyano-2-pyridinyl)methyl]-6-(3-fluoroquinolin-6-yl)-5-phenylpyrazine-2-carboxamide with MolForge

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Related Compounds

N-[2-(4-ethyl-1-piperazinyl)-4-methyl-6-quinolinyl]-2-pyrazinecarboxamide
CID 5309256
3-amino-6-(3-cyanophenyl)-N-phenylpyrazine-2-carboxamide
CID 52937358
3-amino-N-[4-(6-aminopyrazin-2-yl)-3-pyridinyl]-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 69045198
N-(2-amino-5,6,7,8-tetrahydroquinolin-5-yl)-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide
CID 129103576
mTOR inhibitor-2
CID 137628643
3-amino-6-(2-fluorophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 68187361
3-amino-N-[4-(4-aminopiperidin-1-yl)-3-pyridinyl]-6-(2-fluorophenyl)pyrazine-2-carboxamide
CID 68187575
3-amino-N-(3-(4-amino-4-methylpiperidin-1-yl)pyridin-2-yl)-6-(6-fluoro-2-methylquinazolin-4-yl)pyrazine-2-carboxamide
CID 118873262
6,8-Dimethyl-2-[4-(pyrazine-2-carbonyl)-[1,4]diazepan-1-yl]-quinoline-3-carbonitrile
CID 655912
2-[4-[9-(6-Amino-3-pyridinyl)-8-fluoro-2-oxopyrazino[2,3-c]quinolin-1-yl]piperidin-1-yl]acetonitrile
CID 137632259
2-[(3S)-3-[9-(6-amino-3-pyridinyl)-2-oxopyrazino[2,3-c]quinolin-1-yl]piperidin-1-yl]acetonitrile
CID 137636364
4-[9-(6-Amino-3-pyridinyl)-2-oxopyrazino[2,3-c]quinolin-1-yl]piperidine-1-carboxamide
CID 137648193

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(6-cyano-2-pyridinyl)methyl]-6-(3-fluoroquinolin-6-yl)-5-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(6-cyano-2-pyridinyl)methyl]-6-(3-fluoroquinolin-6-yl)-5-phenylpyrazine-2-carboxamide (CID 154656230) is 3-amino-N-[(6-cyano-2-pyridinyl)methyl]-6-(3-fluoroquinolin-6-yl)-5-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(6-cyano-2-pyridinyl)methyl]-6-(3-fluoroquinolin-6-yl)-5-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(6-cyano-2-pyridinyl)methyl]-6-(3-fluoroquinolin-6-yl)-5-phenylpyrazine-2-carboxamide is N#Cc1cccc(CNC(=O)c2nc(-c3ccc4ncc(F)cc4c3)c(-c3ccccc3)nc2N)n1.
What is the InChIKey of 3-amino-N-[(6-cyano-2-pyridinyl)methyl]-6-(3-fluoroquinolin-6-yl)-5-phenylpyrazine-2-carboxamide?
The InChIKey is RGFPMCKYHLQLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18FN7O/c28-19-12-18-11-17(9-10-22(18)31-14-19)24-23(16-5-2-1-3-6-16)35-26(30)25(34-24)27(36)32-15-21-8-4-7-20(13-29)33-21/h1-12,14H,15H2,(H2,30,35)(H,32,36).
What are the key properties of 3-amino-N-[(6-cyano-2-pyridinyl)methyl]-6-(3-fluoroquinolin-6-yl)-5-phenylpyrazine-2-carboxamide?
3-amino-N-[(6-cyano-2-pyridinyl)methyl]-6-(3-fluoroquinolin-6-yl)-5-phenylpyrazine-2-carboxamide has a molecular weight of 475.49 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(6-cyano-2-pyridinyl)methyl]-6-(3-fluoroquinolin-6-yl)-5-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 154656230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).