N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide

C26H24F3N7O — CID 66958299

About N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide

N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (PubChem CID 66958299) has the molecular formula C26H24F3N7O and a molecular weight of 507.52 g/mol. Its IUPAC name is N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.

Molecular Properties

• Compound Name: N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
• PubChem CID: 66958299
• Molecular Formula: C26H24F3N7O
• Molecular Weight: 507.52 g/mol
• Exact Mass: 507.20
• IUPAC Name: N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
• SMILES: CNC(=O)c1ccccc1Nc1cc(Nc2ccc3[nH]nc(C4=CCNCC4)c3c2)ncc1C(F)(F)F
• InChI: InChI=1S/C26H24F3N7O/c1-30-25(37)17-4-2-3-5-20(17)34-22-13-23(32-14-19(22)26(27,28)29)33-16-6-7-21-18(12-16)24(36-35-21)15-8-10-31-11-9-15/h2-8,12-14,31H,9-11H2,1H3,(H,30,37)(H,35,36)(H2,32,33,34)
• InChIKey: LTJYJOGZMKRPKF-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 106.76 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.52
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?

The IUPAC name of N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (CID 66958299) is N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.

What is the SMILES notation for N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?

The canonical SMILES for N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is CNC(=O)c1ccccc1Nc1cc(Nc2ccc3[nH]nc(C4=CCNCC4)c3c2)ncc1C(F)(F)F.

What is the InChIKey of N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?

The InChIKey is LTJYJOGZMKRPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N7O/c1-30-25(37)17-4-2-3-5-20(17)34-22-13-23(32-14-19(22)26(27,28)29)33-16-6-7-21-18(12-16)24(36-35-21)15-8-10-31-11-9-15/h2-8,12-14,31H,9-11H2,1H3,(H,30,37)(H,35,36)(H2,32,33,34).

What are the key properties of N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?

N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide has a molecular weight of 507.52 g/mol, XLogP of 5.20, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is sourced from PubChem (CID 66958299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).