N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1H-pyrazolo[3,4-d]pyrimidine-4-carbonylamino)methyl]-1,3-thiazole-5-carboxamide

C17H10ClF3N8O2S — CID 25151056

IUPACN-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1H-pyrazolo[3,4-d]pyrimidine-4-carbonylamino)methyl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)c(Cl)cn1)c1cnc(CNC(=O)c2ncnc3[nH]ncc23)s1
InChIInChI=1S/C17H10ClF3N8O2S/c18-9-3-22-11(1-8(9)17(19,20)21)28-15(30)10-4-23-12(32-10)5-24-16(31)13-7-2-27-29-14(7)26-6-25-13/h1-4,6H,5H2,(H,24,31)(H,22,28,30)(H,25,26,27,29)
InChIKeySKYWLKGUWVAEFM-UHFFFAOYSA-N
MW482.84 g/mol
LogP3.06
Rot. Bonds5

About N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1H-pyrazolo[3,4-d]pyrimidine-4-carbonylamino)methyl]-1,3-thiazole-5-carboxamide

N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1H-pyrazolo[3,4-d]pyrimidine-4-carbonylamino)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 25151056) has the molecular formula C17H10ClF3N8O2S and a molecular weight of 482.84 g/mol. Its IUPAC name is N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1H-pyrazolo[3,4-d]pyrimidine-4-carbonylamino)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1H-pyrazolo[3,4-d]pyrimidine-4-carbonylamino)methyl]-1,3-thiazole-5-carboxamide
PubChem CID25151056
Molecular FormulaC17H10ClF3N8O2S
Molecular Weight482.84 g/mol
Exact Mass482.03
IUPAC NameN-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1H-pyrazolo[3,4-d]pyrimidine-4-carbonylamino)methyl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)c(Cl)cn1)c1cnc(CNC(=O)c2ncnc3[nH]ncc23)s1
InChIInChI=1S/C17H10ClF3N8O2S/c18-9-3-22-11(1-8(9)17(19,20)21)28-15(30)10-4-23-12(32-10)5-24-16(31)13-7-2-27-29-14(7)26-6-25-13/h1-4,6H,5H2,(H,24,31)(H,22,28,30)(H,25,26,27,29)
InChIKeySKYWLKGUWVAEFM-UHFFFAOYSA-N
XLogP3.06
TPSA138.44 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.84
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1H-pyrazolo[3,4-d]pyrimidine-4-carbonylamino)methyl]-1,3-thiazole-5-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-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1H-pyrazolo[3,4-d]pyrimidine-4-carbonylamino)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1H-pyrazolo[3,4-d]pyrimidine-4-carbonylamino)methyl]-1,3-thiazole-5-carboxamide (CID 25151056) is N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1H-pyrazolo[3,4-d]pyrimidine-4-carbonylamino)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1H-pyrazolo[3,4-d]pyrimidine-4-carbonylamino)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1H-pyrazolo[3,4-d]pyrimidine-4-carbonylamino)methyl]-1,3-thiazole-5-carboxamide is O=C(Nc1cc(C(F)(F)F)c(Cl)cn1)c1cnc(CNC(=O)c2ncnc3[nH]ncc23)s1.
What is the InChIKey of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1H-pyrazolo[3,4-d]pyrimidine-4-carbonylamino)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is SKYWLKGUWVAEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3N8O2S/c18-9-3-22-11(1-8(9)17(19,20)21)28-15(30)10-4-23-12(32-10)5-24-16(31)13-7-2-27-29-14(7)26-6-25-13/h1-4,6H,5H2,(H,24,31)(H,22,28,30)(H,25,26,27,29).
What are the key properties of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1H-pyrazolo[3,4-d]pyrimidine-4-carbonylamino)methyl]-1,3-thiazole-5-carboxamide?
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1H-pyrazolo[3,4-d]pyrimidine-4-carbonylamino)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 482.84 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1H-pyrazolo[3,4-d]pyrimidine-4-carbonylamino)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 25151056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).