N-[[2-fluoro-4-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]phenyl]-methylphosphoryl]ethanamine

C24H23FN7OP — CID 163754046

IUPACN-[[2-fluoro-4-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]phenyl]-methylphosphoryl]ethanamine
SMILESCCNP(C)(=O)c1ccc(Cc2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cc1F
InChIInChI=1S/C24H23FN7OP/c1-3-28-34(2,33)22-9-7-16(13-20(22)25)12-19-14-27-23-24(29-19)32(31-30-23)15-17-6-8-21-18(11-17)5-4-10-26-21/h4-11,13-14H,3,12,15H2,1-2H3,(H,28,33)
InChIKeyAGVIOWUIIROXFJ-UHFFFAOYSA-N
MW475.47 g/mol
LogP3.69
Rot. Bonds7

About N-[[2-fluoro-4-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]phenyl]-methylphosphoryl]ethanamine

N-[[2-fluoro-4-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]phenyl]-methylphosphoryl]ethanamine (PubChem CID 163754046) has the molecular formula C24H23FN7OP and a molecular weight of 475.47 g/mol. Its IUPAC name is N-[[2-fluoro-4-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]phenyl]-methylphosphoryl]ethanamine.

Molecular Properties

Compound NameN-[[2-fluoro-4-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]phenyl]-methylphosphoryl]ethanamine
PubChem CID163754046
Molecular FormulaC24H23FN7OP
Molecular Weight475.47 g/mol
Exact Mass475.17
IUPAC NameN-[[2-fluoro-4-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]phenyl]-methylphosphoryl]ethanamine
SMILESCCNP(C)(=O)c1ccc(Cc2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cc1F
InChIInChI=1S/C24H23FN7OP/c1-3-28-34(2,33)22-9-7-16(13-20(22)25)12-19-14-27-23-24(29-19)32(31-30-23)15-17-6-8-21-18(11-17)5-4-10-26-21/h4-11,13-14H,3,12,15H2,1-2H3,(H,28,33)
InChIKeyAGVIOWUIIROXFJ-UHFFFAOYSA-N
XLogP3.69
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N-[[2-fluoro-4-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]phenyl]-methylphosphoryl]ethanamine with MolForge

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Related Compounds

N-methyl-2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]pyridine-3-carboxamide
CID 148707526
N-methyl-2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]pyridine-4-carboxamide
CID 153129012
N-[4-[bis(ethylamino)phosphoryl]-2-fluorophenyl]-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine
CID 175621557
methyl 2-[methoxy-[4-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]phenyl]phosphoryl]oxyacetate
CID 163510001
1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanol
CID 59341838
1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanamine
CID 59341949
2-methyl-1-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]amino]propan-2-ol
CID 59341867
4-[6-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]-3-pyridinyl]morpholine
CID 147879203
1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylidenehydrazine
CID 78153634
6-[[5-(1H-pyrazol-5-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 24852078
6-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 156790144
methyl 2-[methyl-[4-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]amino]phenyl]phosphoryl]oxyacetate
CID 175621530

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]phenyl]-methylphosphoryl]ethanamine?
The IUPAC name of N-[[2-fluoro-4-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]phenyl]-methylphosphoryl]ethanamine (CID 163754046) is N-[[2-fluoro-4-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]phenyl]-methylphosphoryl]ethanamine.
What is the SMILES notation for N-[[2-fluoro-4-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]phenyl]-methylphosphoryl]ethanamine?
The canonical SMILES for N-[[2-fluoro-4-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]phenyl]-methylphosphoryl]ethanamine is CCNP(C)(=O)c1ccc(Cc2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cc1F.
What is the InChIKey of N-[[2-fluoro-4-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]phenyl]-methylphosphoryl]ethanamine?
The InChIKey is AGVIOWUIIROXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN7OP/c1-3-28-34(2,33)22-9-7-16(13-20(22)25)12-19-14-27-23-24(29-19)32(31-30-23)15-17-6-8-21-18(11-17)5-4-10-26-21/h4-11,13-14H,3,12,15H2,1-2H3,(H,28,33).
What are the key properties of N-[[2-fluoro-4-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]phenyl]-methylphosphoryl]ethanamine?
N-[[2-fluoro-4-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]phenyl]-methylphosphoryl]ethanamine has a molecular weight of 475.47 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]phenyl]-methylphosphoryl]ethanamine is sourced from PubChem (CID 163754046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).