N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide

C22H17F3N6O2 — CID 134450214

IUPACN-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide
SMILESCn1cc(NC(=O)c2cccc(-c3cncc(OCC(F)(F)F)c3)n2)c(-c2ccccn2)n1
InChIInChI=1S/C22H17F3N6O2/c1-31-12-19(20(30-31)17-5-2-3-8-27-17)29-21(32)18-7-4-6-16(28-18)14-9-15(11-26-10-14)33-13-22(23,24)25/h2-12H,13H2,1H3,(H,29,32)
InChIKeyDGRGTRRSRUZYRX-UHFFFAOYSA-N
MW454.41 g/mol
LogP4.13
Rot. Bonds6

About N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide

N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 134450214) has the molecular formula C22H17F3N6O2 and a molecular weight of 454.41 g/mol. Its IUPAC name is N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide
PubChem CID134450214
Molecular FormulaC22H17F3N6O2
Molecular Weight454.41 g/mol
Exact Mass454.14
IUPAC NameN-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide
SMILESCn1cc(NC(=O)c2cccc(-c3cncc(OCC(F)(F)F)c3)n2)c(-c2ccccn2)n1
InChIInChI=1S/C22H17F3N6O2/c1-31-12-19(20(30-31)17-5-2-3-8-27-17)29-21(32)18-7-4-6-16(28-18)14-9-15(11-26-10-14)33-13-22(23,24)25/h2-12H,13H2,1H3,(H,29,32)
InChIKeyDGRGTRRSRUZYRX-UHFFFAOYSA-N
XLogP4.13
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-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 N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide (CID 134450214) is N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide is Cn1cc(NC(=O)c2cccc(-c3cncc(OCC(F)(F)F)c3)n2)c(-c2ccccn2)n1.
What is the InChIKey of N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is DGRGTRRSRUZYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N6O2/c1-31-12-19(20(30-31)17-5-2-3-8-27-17)29-21(32)18-7-4-6-16(28-18)14-9-15(11-26-10-14)33-13-22(23,24)25/h2-12H,13H2,1H3,(H,29,32).
What are the key properties of N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide?
N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 454.41 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 134450214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).