2-[4-[[3-(1,5-dimethylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide

C25H26F3N5O3 — CID 137413520

IUPAC2-[4-[[3-(1,5-dimethylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide
SMILESCc1c(-c2cc(C(=O)NC3CCC(Oc4ncccc4C(N)=O)CC3)cc(C(F)(F)F)c2)cnn1C
InChIInChI=1S/C25H26F3N5O3/c1-14-21(13-31-33(14)2)15-10-16(12-17(11-15)25(26,27)28)23(35)32-18-5-7-19(8-6-18)36-24-20(22(29)34)4-3-9-30-24/h3-4,9-13,18-19H,5-8H2,1-2H3,(H2,29,34)(H,32,35)
InChIKeyMYQJREWYOBUYTN-UHFFFAOYSA-N
MW501.51 g/mol
LogP4.03
Rot. Bonds6

About 2-[4-[[3-(1,5-dimethylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide

2-[4-[[3-(1,5-dimethylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide (PubChem CID 137413520) has the molecular formula C25H26F3N5O3 and a molecular weight of 501.51 g/mol. Its IUPAC name is 2-[4-[[3-(1,5-dimethylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[[3-(1,5-dimethylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide
PubChem CID137413520
Molecular FormulaC25H26F3N5O3
Molecular Weight501.51 g/mol
Exact Mass501.20
IUPAC Name2-[4-[[3-(1,5-dimethylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide
SMILESCc1c(-c2cc(C(=O)NC3CCC(Oc4ncccc4C(N)=O)CC3)cc(C(F)(F)F)c2)cnn1C
InChIInChI=1S/C25H26F3N5O3/c1-14-21(13-31-33(14)2)15-10-16(12-17(11-15)25(26,27)28)23(35)32-18-5-7-19(8-6-18)36-24-20(22(29)34)4-3-9-30-24/h3-4,9-13,18-19H,5-8H2,1-2H3,(H2,29,34)(H,32,35)
InChIKeyMYQJREWYOBUYTN-UHFFFAOYSA-N
XLogP4.03
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.51
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(1,5-dimethylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide?
The IUPAC name of 2-[4-[[3-(1,5-dimethylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide (CID 137413520) is 2-[4-[[3-(1,5-dimethylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[[3-(1,5-dimethylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide?
The canonical SMILES for 2-[4-[[3-(1,5-dimethylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide is Cc1c(-c2cc(C(=O)NC3CCC(Oc4ncccc4C(N)=O)CC3)cc(C(F)(F)F)c2)cnn1C.
What is the InChIKey of 2-[4-[[3-(1,5-dimethylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide?
The InChIKey is MYQJREWYOBUYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O3/c1-14-21(13-31-33(14)2)15-10-16(12-17(11-15)25(26,27)28)23(35)32-18-5-7-19(8-6-18)36-24-20(22(29)34)4-3-9-30-24/h3-4,9-13,18-19H,5-8H2,1-2H3,(H2,29,34)(H,32,35).
What are the key properties of 2-[4-[[3-(1,5-dimethylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide?
2-[4-[[3-(1,5-dimethylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide has a molecular weight of 501.51 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(1,5-dimethylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide is sourced from PubChem (CID 137413520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).