6-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide

C30H28F3N5O2 — CID 89463937

IUPAC6-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
SMILESCc1n[nH]c(C)c1-c1ccc(C(=O)NC2CCC(=Cc3cccc(Oc4ccc(C(F)(F)F)cn4)c3)CC2)cn1
InChIInChI=1S/C30H28F3N5O2/c1-18-28(19(2)38-37-18)26-12-8-22(16-34-26)29(39)36-24-10-6-20(7-11-24)14-21-4-3-5-25(15-21)40-27-13-9-23(17-35-27)30(31,32)33/h3-5,8-9,12-17,24H,6-7,10-11H2,1-2H3,(H,36,39)(H,37,38)/b20-14-
InChIKeyNFYFNGZYQXGBMS-ZHZULCJRSA-N
MW547.58 g/mol
LogP7.05
Rot. Bonds6

About 6-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide

6-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide (PubChem CID 89463937) has the molecular formula C30H28F3N5O2 and a molecular weight of 547.58 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
PubChem CID89463937
Molecular FormulaC30H28F3N5O2
Molecular Weight547.58 g/mol
Exact Mass547.22
IUPAC Name6-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
SMILESCc1n[nH]c(C)c1-c1ccc(C(=O)NC2CCC(=Cc3cccc(Oc4ccc(C(F)(F)F)cn4)c3)CC2)cn1
InChIInChI=1S/C30H28F3N5O2/c1-18-28(19(2)38-37-18)26-12-8-22(16-34-26)29(39)36-24-10-6-20(7-11-24)14-21-4-3-5-25(15-21)40-27-13-9-23(17-35-27)30(31,32)33/h3-5,8-9,12-17,24H,6-7,10-11H2,1-2H3,(H,36,39)(H,37,38)/b20-14-
InChIKeyNFYFNGZYQXGBMS-ZHZULCJRSA-N
XLogP7.05
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.58
LogP ≤ 57.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]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 6-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide (CID 89463937) is 6-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide is Cc1n[nH]c(C)c1-c1ccc(C(=O)NC2CCC(=Cc3cccc(Oc4ccc(C(F)(F)F)cn4)c3)CC2)cn1.
What is the InChIKey of 6-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The InChIKey is NFYFNGZYQXGBMS-ZHZULCJRSA-N. The full InChI is InChI=1S/C30H28F3N5O2/c1-18-28(19(2)38-37-18)26-12-8-22(16-34-26)29(39)36-24-10-6-20(7-11-24)14-21-4-3-5-25(15-21)40-27-13-9-23(17-35-27)30(31,32)33/h3-5,8-9,12-17,24H,6-7,10-11H2,1-2H3,(H,36,39)(H,37,38)/b20-14-.
What are the key properties of 6-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
6-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 547.58 g/mol, XLogP of 7.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 89463937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).