N-(2-morpholin-4-ylethyl)-6-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide

C24H23F3N8O4S — CID 87228085

IUPACN-(2-morpholin-4-ylethyl)-6-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ncc(-c2cc(C(=O)NCCN3CCOCC3)c3cn[nH]c3n2)s1
InChIInChI=1S/C24H23F3N8O4S/c25-24(26,27)39-15-3-1-14(2-4-15)31-22(37)33-23-29-13-19(40-23)18-11-16(17-12-30-34-20(17)32-18)21(36)28-5-6-35-7-9-38-10-8-35/h1-4,11-13H,5-10H2,(H,28,36)(H,30,32,34)(H2,29,31,33,37)
InChIKeyIWCFRXKUJQCAKI-UHFFFAOYSA-N
MW576.56 g/mol
LogP3.69
Rot. Bonds8

About N-(2-morpholin-4-ylethyl)-6-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide

N-(2-morpholin-4-ylethyl)-6-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 87228085) has the molecular formula C24H23F3N8O4S and a molecular weight of 576.56 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-6-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-6-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID87228085
Molecular FormulaC24H23F3N8O4S
Molecular Weight576.56 g/mol
Exact Mass576.15
IUPAC NameN-(2-morpholin-4-ylethyl)-6-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ncc(-c2cc(C(=O)NCCN3CCOCC3)c3cn[nH]c3n2)s1
InChIInChI=1S/C24H23F3N8O4S/c25-24(26,27)39-15-3-1-14(2-4-15)31-22(37)33-23-29-13-19(40-23)18-11-16(17-12-30-34-20(17)32-18)21(36)28-5-6-35-7-9-38-10-8-35/h1-4,11-13H,5-10H2,(H,28,36)(H,30,32,34)(H2,29,31,33,37)
InChIKeyIWCFRXKUJQCAKI-UHFFFAOYSA-N
XLogP3.69
TPSA146.39 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.56
LogP ≤ 53.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze N-(2-morpholin-4-ylethyl)-6-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Related Compounds

US10100058, Example 210
CID 134539747
US11964953, Example 131
CID 166792542
N-(2-(4-(4-(4-methoxyphenyl)piperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)-2,4-dimethylthiazole-5-carboxamide
CID 42099838
N-[4-(difluoromethoxy)phenyl]-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16592173
6-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-N-(3-morpholin-4-ylpropyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 16004775
6-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-N-(2-piperazin-1-ylethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 16004776
6-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 16004778
6-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-N-(2-morpholin-4-ylethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 16005212
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[5-[4-(morpholine-4-carbonyl)-1H-pyrazolo[3,4-b]pyridin-6-yl]-1,3-thiazol-2-yl]urea
CID 16005289
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[5-[4-(piperazine-1-carbonyl)-1H-pyrazolo[3,4-b]pyridin-6-yl]-1,3-thiazol-2-yl]urea
CID 16005315
N-[4-[4-amino-1-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-2-fluoro-4-(trifluoromethyl)benzamide
CID 20817333
2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide
CID 23537303

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-6-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-6-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide (CID 87228085) is N-(2-morpholin-4-ylethyl)-6-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-6-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-6-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ncc(-c2cc(C(=O)NCCN3CCOCC3)c3cn[nH]c3n2)s1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-6-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is IWCFRXKUJQCAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N8O4S/c25-24(26,27)39-15-3-1-14(2-4-15)31-22(37)33-23-29-13-19(40-23)18-11-16(17-12-30-34-20(17)32-18)21(36)28-5-6-35-7-9-38-10-8-35/h1-4,11-13H,5-10H2,(H,28,36)(H,30,32,34)(H2,29,31,33,37).
What are the key properties of N-(2-morpholin-4-ylethyl)-6-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
N-(2-morpholin-4-ylethyl)-6-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 576.56 g/mol, XLogP of 3.69, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-6-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 87228085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).