N-(5-cyano-2-fluorophenyl)-4-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]benzamide

C25H17F4N5O — CID 137463904

IUPACN-(5-cyano-2-fluorophenyl)-4-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]benzamide
SMILESN#Cc1ccc(F)c(NC(=O)c2ccc(C3(c4nc5ncc(C(F)(F)F)cc5[nH]4)CCC3)cc2)c1
InChIInChI=1S/C25H17F4N5O/c26-18-7-2-14(12-30)10-19(18)32-22(35)15-3-5-16(6-4-15)24(8-1-9-24)23-33-20-11-17(25(27,28)29)13-31-21(20)34-23/h2-7,10-11,13H,1,8-9H2,(H,32,35)(H,31,33,34)
InChIKeyUUHUTDNGNKVMKI-UHFFFAOYSA-N
MW479.44 g/mol
LogP5.71
Rot. Bonds4

About N-(5-cyano-2-fluorophenyl)-4-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]benzamide

N-(5-cyano-2-fluorophenyl)-4-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]benzamide (PubChem CID 137463904) has the molecular formula C25H17F4N5O and a molecular weight of 479.44 g/mol. Its IUPAC name is N-(5-cyano-2-fluorophenyl)-4-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]benzamide.

Molecular Properties

Compound NameN-(5-cyano-2-fluorophenyl)-4-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]benzamide
PubChem CID137463904
Molecular FormulaC25H17F4N5O
Molecular Weight479.44 g/mol
Exact Mass479.14
IUPAC NameN-(5-cyano-2-fluorophenyl)-4-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]benzamide
SMILESN#Cc1ccc(F)c(NC(=O)c2ccc(C3(c4nc5ncc(C(F)(F)F)cc5[nH]4)CCC3)cc2)c1
InChIInChI=1S/C25H17F4N5O/c26-18-7-2-14(12-30)10-19(18)32-22(35)15-3-5-16(6-4-15)24(8-1-9-24)23-33-20-11-17(25(27,28)29)13-31-21(20)34-23/h2-7,10-11,13H,1,8-9H2,(H,32,35)(H,31,33,34)
InChIKeyUUHUTDNGNKVMKI-UHFFFAOYSA-N
XLogP5.71
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.44
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-fluorophenyl)-4-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]benzamide?
The IUPAC name of N-(5-cyano-2-fluorophenyl)-4-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]benzamide (CID 137463904) is N-(5-cyano-2-fluorophenyl)-4-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]benzamide.
What is the SMILES notation for N-(5-cyano-2-fluorophenyl)-4-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]benzamide?
The canonical SMILES for N-(5-cyano-2-fluorophenyl)-4-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]benzamide is N#Cc1ccc(F)c(NC(=O)c2ccc(C3(c4nc5ncc(C(F)(F)F)cc5[nH]4)CCC3)cc2)c1.
What is the InChIKey of N-(5-cyano-2-fluorophenyl)-4-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]benzamide?
The InChIKey is UUHUTDNGNKVMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F4N5O/c26-18-7-2-14(12-30)10-19(18)32-22(35)15-3-5-16(6-4-15)24(8-1-9-24)23-33-20-11-17(25(27,28)29)13-31-21(20)34-23/h2-7,10-11,13H,1,8-9H2,(H,32,35)(H,31,33,34).
What are the key properties of N-(5-cyano-2-fluorophenyl)-4-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]benzamide?
N-(5-cyano-2-fluorophenyl)-4-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]benzamide has a molecular weight of 479.44 g/mol, XLogP of 5.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-fluorophenyl)-4-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]benzamide is sourced from PubChem (CID 137463904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).