2-(2-fluoroethyl)-4-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]indazole-6-carboxamide

C21H18F4N6OS — CID 163217698

About 2-(2-fluoroethyl)-4-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]indazole-6-carboxamide

2-(2-fluoroethyl)-4-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]indazole-6-carboxamide (PubChem CID 163217698) has the molecular formula C21H18F4N6OS and a molecular weight of 478.48 g/mol. Its IUPAC name is 2-(2-fluoroethyl)-4-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]indazole-6-carboxamide.

Molecular Properties

• Compound Name: 2-(2-fluoroethyl)-4-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]indazole-6-carboxamide
• PubChem CID: 163217698
• Molecular Formula: C21H18F4N6OS
• Molecular Weight: 478.48 g/mol
• Exact Mass: 478.12
• IUPAC Name: 2-(2-fluoroethyl)-4-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]indazole-6-carboxamide
• SMILES: Cc1cnc(-c2cc(C(=O)N[C@H](C)c3cnc(C(F)(F)F)nc3)cc3nn(CCF)cc23)s1
• InChI: InChI=1S/C21H18F4N6OS/c1-11-7-26-19(33-11)15-5-13(6-17-16(15)10-31(30-17)4-3-22)18(32)29-12(2)14-8-27-20(28-9-14)21(23,24)25/h5-10,12H,3-4H2,1-2H3,(H,29,32)/t12-/m1/s1
• InChIKey: JNYRPFAUZYBPEE-GFCCVEGCSA-N
• XLogP: 4.74
• TPSA: 85.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.48
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethyl)-4-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]indazole-6-carboxamide?

The IUPAC name of 2-(2-fluoroethyl)-4-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]indazole-6-carboxamide (CID 163217698) is 2-(2-fluoroethyl)-4-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]indazole-6-carboxamide.

What is the SMILES notation for 2-(2-fluoroethyl)-4-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]indazole-6-carboxamide?

The canonical SMILES for 2-(2-fluoroethyl)-4-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]indazole-6-carboxamide is Cc1cnc(-c2cc(C(=O)N[C@H](C)c3cnc(C(F)(F)F)nc3)cc3nn(CCF)cc23)s1.

What is the InChIKey of 2-(2-fluoroethyl)-4-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]indazole-6-carboxamide?

The InChIKey is JNYRPFAUZYBPEE-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H18F4N6OS/c1-11-7-26-19(33-11)15-5-13(6-17-16(15)10-31(30-17)4-3-22)18(32)29-12(2)14-8-27-20(28-9-14)21(23,24)25/h5-10,12H,3-4H2,1-2H3,(H,29,32)/t12-/m1/s1.

What are the key properties of 2-(2-fluoroethyl)-4-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]indazole-6-carboxamide?

2-(2-fluoroethyl)-4-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]indazole-6-carboxamide has a molecular weight of 478.48 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-fluoroethyl)-4-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]indazole-6-carboxamide is sourced from PubChem (CID 163217698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).