5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methyl-N-[3-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C26H27F3N8O — CID 45255084

IUPAC5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methyl-N-[3-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1ncc(C(=O)Nc2cc(N3CCCCC3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1
InChIInChI=1S/C26H27F3N8O/c1-16-24(37-15-23(33-34-37)22-14-31-35(3)17(22)2)9-18(13-30-16)25(38)32-20-10-19(26(27,28)29)11-21(12-20)36-7-5-4-6-8-36/h9-15H,4-8H2,1-3H3,(H,32,38)
InChIKeyPMRHGLNLCHLIQA-UHFFFAOYSA-N
MW524.55 g/mol
LogP4.94
Rot. Bonds5

About 5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methyl-N-[3-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide

5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methyl-N-[3-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 45255084) has the molecular formula C26H27F3N8O and a molecular weight of 524.55 g/mol. Its IUPAC name is 5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methyl-N-[3-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methyl-N-[3-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID45255084
Molecular FormulaC26H27F3N8O
Molecular Weight524.55 g/mol
Exact Mass524.23
IUPAC Name5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methyl-N-[3-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1ncc(C(=O)Nc2cc(N3CCCCC3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1
InChIInChI=1S/C26H27F3N8O/c1-16-24(37-15-23(33-34-37)22-14-31-35(3)17(22)2)9-18(13-30-16)25(38)32-20-10-19(26(27,28)29)11-21(12-20)36-7-5-4-6-8-36/h9-15H,4-8H2,1-3H3,(H,32,38)
InChIKeyPMRHGLNLCHLIQA-UHFFFAOYSA-N
XLogP4.94
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.55
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methyl-N-[3-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methyl-N-[3-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 45255084) is 5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methyl-N-[3-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methyl-N-[3-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methyl-N-[3-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide is Cc1ncc(C(=O)Nc2cc(N3CCCCC3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1.
What is the InChIKey of 5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methyl-N-[3-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is PMRHGLNLCHLIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N8O/c1-16-24(37-15-23(33-34-37)22-14-31-35(3)17(22)2)9-18(13-30-16)25(38)32-20-10-19(26(27,28)29)11-21(12-20)36-7-5-4-6-8-36/h9-15H,4-8H2,1-3H3,(H,32,38).
What are the key properties of 5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methyl-N-[3-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methyl-N-[3-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 524.55 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methyl-N-[3-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 45255084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).