6-[[1-(3-bromo-2-pyridinyl)-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carbonyl]amino]-5-methyl-1H-indazole-7-carboxamide

C22H16BrF3N10O2 — CID 167443130

About 6-[[1-(3-bromo-2-pyridinyl)-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carbonyl]amino]-5-methyl-1H-indazole-7-carboxamide

6-[[1-(3-bromo-2-pyridinyl)-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carbonyl]amino]-5-methyl-1H-indazole-7-carboxamide (PubChem CID 167443130) has the molecular formula C22H16BrF3N10O2 and a molecular weight of 589.34 g/mol. Its IUPAC name is 6-[[1-(3-bromo-2-pyridinyl)-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carbonyl]amino]-5-methyl-1H-indazole-7-carboxamide.

Molecular Properties

• Compound Name: 6-[[1-(3-bromo-2-pyridinyl)-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carbonyl]amino]-5-methyl-1H-indazole-7-carboxamide
• PubChem CID: 167443130
• Molecular Formula: C22H16BrF3N10O2
• Molecular Weight: 589.34 g/mol
• Exact Mass: 588.06
• IUPAC Name: 6-[[1-(3-bromo-2-pyridinyl)-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carbonyl]amino]-5-methyl-1H-indazole-7-carboxamide
• SMILES: Cc1cc2cn[nH]c2c(C(N)=O)c1NC(=O)c1cc(Cn2cc(C(F)(F)F)nn2)nn1-c1ncccc1Br
• InChI: InChI=1S/C22H16BrF3N10O2/c1-10-5-11-7-29-32-18(11)16(19(27)37)17(10)30-21(38)14-6-12(8-35-9-15(31-34-35)22(24,25)26)33-36(14)20-13(23)3-2-4-28-20/h2-7,9H,8H2,1H3,(H2,27,37)(H,29,32)(H,30,38)
• InChIKey: QNUGIYJORVGVAX-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 162.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	589.34
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(3-bromo-2-pyridinyl)-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carbonyl]amino]-5-methyl-1H-indazole-7-carboxamide?

The IUPAC name of 6-[[1-(3-bromo-2-pyridinyl)-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carbonyl]amino]-5-methyl-1H-indazole-7-carboxamide (CID 167443130) is 6-[[1-(3-bromo-2-pyridinyl)-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carbonyl]amino]-5-methyl-1H-indazole-7-carboxamide.

What is the SMILES notation for 6-[[1-(3-bromo-2-pyridinyl)-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carbonyl]amino]-5-methyl-1H-indazole-7-carboxamide?

The canonical SMILES for 6-[[1-(3-bromo-2-pyridinyl)-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carbonyl]amino]-5-methyl-1H-indazole-7-carboxamide is Cc1cc2cn[nH]c2c(C(N)=O)c1NC(=O)c1cc(Cn2cc(C(F)(F)F)nn2)nn1-c1ncccc1Br.

What is the InChIKey of 6-[[1-(3-bromo-2-pyridinyl)-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carbonyl]amino]-5-methyl-1H-indazole-7-carboxamide?

The InChIKey is QNUGIYJORVGVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrF3N10O2/c1-10-5-11-7-29-32-18(11)16(19(27)37)17(10)30-21(38)14-6-12(8-35-9-15(31-34-35)22(24,25)26)33-36(14)20-13(23)3-2-4-28-20/h2-7,9H,8H2,1H3,(H2,27,37)(H,29,32)(H,30,38).

What are the key properties of 6-[[1-(3-bromo-2-pyridinyl)-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carbonyl]amino]-5-methyl-1H-indazole-7-carboxamide?

6-[[1-(3-bromo-2-pyridinyl)-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carbonyl]amino]-5-methyl-1H-indazole-7-carboxamide has a molecular weight of 589.34 g/mol, XLogP of 3.22, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[1-(3-bromo-2-pyridinyl)-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carbonyl]amino]-5-methyl-1H-indazole-7-carboxamide is sourced from PubChem (CID 167443130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).