N-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide

C24H18F3N7OS — CID 54590979

About N-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide

N-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 54590979) has the molecular formula C24H18F3N7OS and a molecular weight of 509.52 g/mol. Its IUPAC name is N-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide
• PubChem CID: 54590979
• Molecular Formula: C24H18F3N7OS
• Molecular Weight: 509.52 g/mol
• Exact Mass: 509.12
• IUPAC Name: N-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide
• SMILES: O=C(Nc1cc2[nH]ncc2cc1-c1ccc2c(c1)CNCC2)c1csc(-c2cc(C(F)(F)F)[nH]n2)n1
• InChI: InChI=1S/C24H18F3N7OS/c25-24(26,27)21-8-19(33-34-21)23-31-20(11-36-23)22(35)30-18-7-17-15(10-29-32-17)6-16(18)13-2-1-12-3-4-28-9-14(12)5-13/h1-2,5-8,10-11,28H,3-4,9H2,(H,29,32)(H,30,35)(H,33,34)
• InChIKey: QJHKSBAOWIKFTJ-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 111.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.52
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide (CID 54590979) is N-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide is O=C(Nc1cc2[nH]ncc2cc1-c1ccc2c(c1)CNCC2)c1csc(-c2cc(C(F)(F)F)[nH]n2)n1.

What is the InChIKey of N-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide?

The InChIKey is QJHKSBAOWIKFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N7OS/c25-24(26,27)21-8-19(33-34-21)23-31-20(11-36-23)22(35)30-18-7-17-15(10-29-32-17)6-16(18)13-2-1-12-3-4-28-9-14(12)5-13/h1-2,5-8,10-11,28H,3-4,9H2,(H,29,32)(H,30,35)(H,33,34).

What are the key properties of N-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide?

N-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 509.52 g/mol, XLogP of 4.99, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 54590979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).