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

C25H25F3N8O2 — CID 45254682

IUPAC5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methyl-N-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1ncc(C(=O)Nc2cc(N3CCOCC3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1
InChIInChI=1S/C25H25F3N8O2/c1-15-23(36-14-22(32-33-36)21-13-30-34(3)16(21)2)8-17(12-29-15)24(37)31-19-9-18(25(26,27)28)10-20(11-19)35-4-6-38-7-5-35/h8-14H,4-7H2,1-3H3,(H,31,37)
InChIKeyOXUVZBPCTJCDKM-UHFFFAOYSA-N
MW526.52 g/mol
LogP3.79
Rot. Bonds5

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

5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methyl-N-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 45254682) has the molecular formula C25H25F3N8O2 and a molecular weight of 526.52 g/mol. Its IUPAC name is 5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methyl-N-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methyl-N-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID45254682
Molecular FormulaC25H25F3N8O2
Molecular Weight526.52 g/mol
Exact Mass526.21
IUPAC Name5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methyl-N-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1ncc(C(=O)Nc2cc(N3CCOCC3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1
InChIInChI=1S/C25H25F3N8O2/c1-15-23(36-14-22(32-33-36)21-13-30-34(3)16(21)2)8-17(12-29-15)24(37)31-19-9-18(25(26,27)28)10-20(11-19)35-4-6-38-7-5-35/h8-14H,4-7H2,1-3H3,(H,31,37)
InChIKeyOXUVZBPCTJCDKM-UHFFFAOYSA-N
XLogP3.79
TPSA102.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.52
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methyl-N-[3-morpholin-4-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-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 45254682) is 5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methyl-N-[3-morpholin-4-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-morpholin-4-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-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide is Cc1ncc(C(=O)Nc2cc(N3CCOCC3)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-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is OXUVZBPCTJCDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N8O2/c1-15-23(36-14-22(32-33-36)21-13-30-34(3)16(21)2)8-17(12-29-15)24(37)31-19-9-18(25(26,27)28)10-20(11-19)35-4-6-38-7-5-35/h8-14H,4-7H2,1-3H3,(H,31,37).
What are the key properties of 5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methyl-N-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methyl-N-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 526.52 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 9 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-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 45254682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).