2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide

C21H18F3N7O2S — CID 122638542

IUPAC2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cn(C2CC(OCC(F)(F)F)C2)nc1-c1ccccn1)c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C21H18F3N7O2S/c22-21(23,24)11-33-14-5-13(6-14)31-9-16(18(30-31)15-3-1-2-4-25-15)28-19(32)17-10-34-20(29-17)12-7-26-27-8-12/h1-4,7-10,13-14H,5-6,11H2,(H,26,27)(H,28,32)
InChIKeyGIQSIOIPXWOSLO-UHFFFAOYSA-N
MW489.48 g/mol
LogP4.33
Rot. Bonds7

About 2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide

2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 122638542) has the molecular formula C21H18F3N7O2S and a molecular weight of 489.48 g/mol. Its IUPAC name is 2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID122638542
Molecular FormulaC21H18F3N7O2S
Molecular Weight489.48 g/mol
Exact Mass489.12
IUPAC Name2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cn(C2CC(OCC(F)(F)F)C2)nc1-c1ccccn1)c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C21H18F3N7O2S/c22-21(23,24)11-33-14-5-13(6-14)31-9-16(18(30-31)15-3-1-2-4-25-15)28-19(32)17-10-34-20(29-17)12-7-26-27-8-12/h1-4,7-10,13-14H,5-6,11H2,(H,26,27)(H,28,32)
InChIKeyGIQSIOIPXWOSLO-UHFFFAOYSA-N
XLogP4.33
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.48
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]-1,3-thiazole-4-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 2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide (CID 122638542) is 2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide is O=C(Nc1cn(C2CC(OCC(F)(F)F)C2)nc1-c1ccccn1)c1csc(-c2cn[nH]c2)n1.
What is the InChIKey of 2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is GIQSIOIPXWOSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N7O2S/c22-21(23,24)11-33-14-5-13(6-14)31-9-16(18(30-31)15-3-1-2-4-25-15)28-19(32)17-10-34-20(29-17)12-7-26-27-8-12/h1-4,7-10,13-14H,5-6,11H2,(H,26,27)(H,28,32).
What are the key properties of 2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 489.48 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 122638542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).