1-[5-[2-amino-7-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridinyl]cyclobutan-1-ol

C28H27F3N8O — CID 155214234

IUPAC1-[5-[2-amino-7-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridinyl]cyclobutan-1-ol
SMILESCC(C)C(c1ccc(C(F)(F)F)nc1)n1cc(-c2cc(-c3ccc(C4(O)CCC4)nc3)n3nc(N)nc3c2)cn1
InChIInChI=1S/C28H27F3N8O/c1-16(2)25(18-5-7-23(34-13-18)28(29,30)31)38-15-20(14-35-38)19-10-21(39-24(11-19)36-26(32)37-39)17-4-6-22(33-12-17)27(40)8-3-9-27/h4-7,10-16,25,40H,3,8-9H2,1-2H3,(H2,32,37)
InChIKeyDMNGLJJHZYMMAK-UHFFFAOYSA-N
MW548.57 g/mol
LogP5.27
Rot. Bonds6

About 1-[5-[2-amino-7-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridinyl]cyclobutan-1-ol

1-[5-[2-amino-7-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridinyl]cyclobutan-1-ol (PubChem CID 155214234) has the molecular formula C28H27F3N8O and a molecular weight of 548.57 g/mol. Its IUPAC name is 1-[5-[2-amino-7-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridinyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[5-[2-amino-7-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridinyl]cyclobutan-1-ol
PubChem CID155214234
Molecular FormulaC28H27F3N8O
Molecular Weight548.57 g/mol
Exact Mass548.23
IUPAC Name1-[5-[2-amino-7-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridinyl]cyclobutan-1-ol
SMILESCC(C)C(c1ccc(C(F)(F)F)nc1)n1cc(-c2cc(-c3ccc(C4(O)CCC4)nc3)n3nc(N)nc3c2)cn1
InChIInChI=1S/C28H27F3N8O/c1-16(2)25(18-5-7-23(34-13-18)28(29,30)31)38-15-20(14-35-38)19-10-21(39-24(11-19)36-26(32)37-39)17-4-6-22(33-12-17)27(40)8-3-9-27/h4-7,10-16,25,40H,3,8-9H2,1-2H3,(H2,32,37)
InChIKeyDMNGLJJHZYMMAK-UHFFFAOYSA-N
XLogP5.27
TPSA120.04 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.57
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[5-[2-amino-7-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridinyl]cyclobutan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-amino-7-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridinyl]cyclobutan-1-ol?
The IUPAC name of 1-[5-[2-amino-7-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridinyl]cyclobutan-1-ol (CID 155214234) is 1-[5-[2-amino-7-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridinyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[5-[2-amino-7-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridinyl]cyclobutan-1-ol?
The canonical SMILES for 1-[5-[2-amino-7-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridinyl]cyclobutan-1-ol is CC(C)C(c1ccc(C(F)(F)F)nc1)n1cc(-c2cc(-c3ccc(C4(O)CCC4)nc3)n3nc(N)nc3c2)cn1.
What is the InChIKey of 1-[5-[2-amino-7-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridinyl]cyclobutan-1-ol?
The InChIKey is DMNGLJJHZYMMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N8O/c1-16(2)25(18-5-7-23(34-13-18)28(29,30)31)38-15-20(14-35-38)19-10-21(39-24(11-19)36-26(32)37-39)17-4-6-22(33-12-17)27(40)8-3-9-27/h4-7,10-16,25,40H,3,8-9H2,1-2H3,(H2,32,37).
What are the key properties of 1-[5-[2-amino-7-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridinyl]cyclobutan-1-ol?
1-[5-[2-amino-7-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridinyl]cyclobutan-1-ol has a molecular weight of 548.57 g/mol, XLogP of 5.27, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-amino-7-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridinyl]cyclobutan-1-ol is sourced from PubChem (CID 155214234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).