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

C24H23F3N8O3S — CID 59766676

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

N-(2-morpholin-4-ylethyl)-6-[2-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 59766676) has the molecular formula C24H23F3N8O3S and a molecular weight of 560.56 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-6-[2-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-(2-morpholin-4-ylethyl)-6-[2-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 59766676
• Molecular Formula: C24H23F3N8O3S
• Molecular Weight: 560.56 g/mol
• Exact Mass: 560.16
• IUPAC Name: N-(2-morpholin-4-ylethyl)-6-[2-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ncc(-c2cc(C(=O)NCCN3CCOCC3)c3cn[nH]c3n2)s1
• InChI: InChI=1S/C24H23F3N8O3S/c25-24(26,27)14-1-3-15(4-2-14)31-22(37)33-23-29-13-19(39-23)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)
• InChIKey: OWNRYWXMQMDDRM-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 137.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.56
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-6-[2-[[4-(trifluoromethyl)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-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide (CID 59766676) is N-(2-morpholin-4-ylethyl)-6-[2-[[4-(trifluoromethyl)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-(trifluoromethyl)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-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide is O=C(Nc1ccc(C(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-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is OWNRYWXMQMDDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N8O3S/c25-24(26,27)14-1-3-15(4-2-14)31-22(37)33-23-29-13-19(39-23)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-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?

N-(2-morpholin-4-ylethyl)-6-[2-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 560.56 g/mol, XLogP of 3.81, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-morpholin-4-ylethyl)-6-[2-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 59766676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).