1-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-2-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]ethanone

C24H17F4N5O — CID 161041035

IUPAC1-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-2-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]ethanone
SMILESNc1ccc(-c2ccccc2F)nc1C(=O)Cc1cnccc1-c1cnc(N)c(C(F)(F)F)c1
InChIInChI=1S/C24H17F4N5O/c25-18-4-2-1-3-16(18)20-6-5-19(29)22(33-20)21(34)10-14-11-31-8-7-15(14)13-9-17(24(26,27)28)23(30)32-12-13/h1-9,11-12H,10,29H2,(H2,30,32)
InChIKeyUAWQKCHPFXCEDD-UHFFFAOYSA-N
MW467.43 g/mol
LogP4.95
Rot. Bonds5

About 1-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-2-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]ethanone

1-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-2-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]ethanone (PubChem CID 161041035) has the molecular formula C24H17F4N5O and a molecular weight of 467.43 g/mol. Its IUPAC name is 1-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-2-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-2-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]ethanone
PubChem CID161041035
Molecular FormulaC24H17F4N5O
Molecular Weight467.43 g/mol
Exact Mass467.14
IUPAC Name1-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-2-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]ethanone
SMILESNc1ccc(-c2ccccc2F)nc1C(=O)Cc1cnccc1-c1cnc(N)c(C(F)(F)F)c1
InChIInChI=1S/C24H17F4N5O/c25-18-4-2-1-3-16(18)20-6-5-19(29)22(33-20)21(34)10-14-11-31-8-7-15(14)13-9-17(24(26,27)28)23(30)32-12-13/h1-9,11-12H,10,29H2,(H2,30,32)
InChIKeyUAWQKCHPFXCEDD-UHFFFAOYSA-N
XLogP4.95
TPSA107.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.43
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-2-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]ethanone?
The IUPAC name of 1-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-2-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]ethanone (CID 161041035) is 1-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-2-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-2-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]ethanone?
The canonical SMILES for 1-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-2-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]ethanone is Nc1ccc(-c2ccccc2F)nc1C(=O)Cc1cnccc1-c1cnc(N)c(C(F)(F)F)c1.
What is the InChIKey of 1-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-2-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]ethanone?
The InChIKey is UAWQKCHPFXCEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F4N5O/c25-18-4-2-1-3-16(18)20-6-5-19(29)22(33-20)21(34)10-14-11-31-8-7-15(14)13-9-17(24(26,27)28)23(30)32-12-13/h1-9,11-12H,10,29H2,(H2,30,32).
What are the key properties of 1-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-2-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]ethanone?
1-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-2-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]ethanone has a molecular weight of 467.43 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-2-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]ethanone is sourced from PubChem (CID 161041035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).