N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-(dimethylamino)acetamide

C28H23F3N8O — CID 73051428

IUPACN-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-(dimethylamino)acetamide
SMILESCc1c(-c2ccnn2-c2ccc(C#N)cc2)cn2nc(NC(=O)CN(C)C)nc2c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C28H23F3N8O/c1-17-22(23-11-12-33-39(23)21-9-7-18(14-32)8-10-21)15-38-26(35-27(36-38)34-24(40)16-37(2)3)25(17)19-5-4-6-20(13-19)28(29,30)31/h4-13,15H,16H2,1-3H3,(H,34,36,40)
InChIKeyKRAHROKJLPCJEB-UHFFFAOYSA-N
MW544.54 g/mol
LogP4.95
Rot. Bonds6

About N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-(dimethylamino)acetamide

N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-(dimethylamino)acetamide (PubChem CID 73051428) has the molecular formula C28H23F3N8O and a molecular weight of 544.54 g/mol. Its IUPAC name is N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-(dimethylamino)acetamide
PubChem CID73051428
Molecular FormulaC28H23F3N8O
Molecular Weight544.54 g/mol
Exact Mass544.19
IUPAC NameN-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-(dimethylamino)acetamide
SMILESCc1c(-c2ccnn2-c2ccc(C#N)cc2)cn2nc(NC(=O)CN(C)C)nc2c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C28H23F3N8O/c1-17-22(23-11-12-33-39(23)21-9-7-18(14-32)8-10-21)15-38-26(35-27(36-38)34-24(40)16-37(2)3)25(17)19-5-4-6-20(13-19)28(29,30)31/h4-13,15H,16H2,1-3H3,(H,34,36,40)
InChIKeyKRAHROKJLPCJEB-UHFFFAOYSA-N
XLogP4.95
TPSA104.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.54
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-(dimethylamino)acetamide (CID 73051428) is N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-(dimethylamino)acetamide is Cc1c(-c2ccnn2-c2ccc(C#N)cc2)cn2nc(NC(=O)CN(C)C)nc2c1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-(dimethylamino)acetamide?
The InChIKey is KRAHROKJLPCJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F3N8O/c1-17-22(23-11-12-33-39(23)21-9-7-18(14-32)8-10-21)15-38-26(35-27(36-38)34-24(40)16-37(2)3)25(17)19-5-4-6-20(13-19)28(29,30)31/h4-13,15H,16H2,1-3H3,(H,34,36,40).
What are the key properties of N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-(dimethylamino)acetamide?
N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-(dimethylamino)acetamide has a molecular weight of 544.54 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 73051428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).