N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3-(trifluoromethoxy)aniline

C23H18F3N7O — CID 54767086

IUPACN-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3-(trifluoromethoxy)aniline
SMILESCc1cccc(-c2[nH]c(CNc3cccc(OC(F)(F)F)c3)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C23H18F3N7O/c1-14-4-2-7-18(30-14)22-21(15-8-9-20-28-13-29-33(20)12-15)31-19(32-22)11-27-16-5-3-6-17(10-16)34-23(24,25)26/h2-10,12-13,27H,11H2,1H3,(H,31,32)
InChIKeyIMQRUKOBXNFXSF-UHFFFAOYSA-N
MW465.44 g/mol
LogP5.00
Rot. Bonds6

About N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3-(trifluoromethoxy)aniline

N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3-(trifluoromethoxy)aniline (PubChem CID 54767086) has the molecular formula C23H18F3N7O and a molecular weight of 465.44 g/mol. Its IUPAC name is N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3-(trifluoromethoxy)aniline
PubChem CID54767086
Molecular FormulaC23H18F3N7O
Molecular Weight465.44 g/mol
Exact Mass465.15
IUPAC NameN-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3-(trifluoromethoxy)aniline
SMILESCc1cccc(-c2[nH]c(CNc3cccc(OC(F)(F)F)c3)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C23H18F3N7O/c1-14-4-2-7-18(30-14)22-21(15-8-9-20-28-13-29-33(20)12-15)31-19(32-22)11-27-16-5-3-6-17(10-16)34-23(24,25)26/h2-10,12-13,27H,11H2,1H3,(H,31,32)
InChIKeyIMQRUKOBXNFXSF-UHFFFAOYSA-N
XLogP5.00
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.44
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3-(trifluoromethoxy)aniline?
The IUPAC name of N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3-(trifluoromethoxy)aniline (CID 54767086) is N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3-(trifluoromethoxy)aniline.
What is the SMILES notation for N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3-(trifluoromethoxy)aniline?
The canonical SMILES for N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3-(trifluoromethoxy)aniline is Cc1cccc(-c2[nH]c(CNc3cccc(OC(F)(F)F)c3)nc2-c2ccc3ncnn3c2)n1.
What is the InChIKey of N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3-(trifluoromethoxy)aniline?
The InChIKey is IMQRUKOBXNFXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N7O/c1-14-4-2-7-18(30-14)22-21(15-8-9-20-28-13-29-33(20)12-15)31-19(32-22)11-27-16-5-3-6-17(10-16)34-23(24,25)26/h2-10,12-13,27H,11H2,1H3,(H,31,32).
What are the key properties of N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3-(trifluoromethoxy)aniline?
N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3-(trifluoromethoxy)aniline has a molecular weight of 465.44 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3-(trifluoromethoxy)aniline is sourced from PubChem (CID 54767086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).