3-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-2,3-dihydroindole-6-carboxamide

C28H24F3N7O — CID 165142587

About 3-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-2,3-dihydroindole-6-carboxamide

3-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-2,3-dihydroindole-6-carboxamide (PubChem CID 165142587) has the molecular formula C28H24F3N7O and a molecular weight of 531.54 g/mol. Its IUPAC name is 3-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-2,3-dihydroindole-6-carboxamide.

Molecular Properties

• Compound Name: 3-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-2,3-dihydroindole-6-carboxamide
• PubChem CID: 165142587
• Molecular Formula: C28H24F3N7O
• Molecular Weight: 531.54 g/mol
• Exact Mass: 531.20
• IUPAC Name: 3-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-2,3-dihydroindole-6-carboxamide
• SMILES: Cc1cn(-c2cc(NC(=O)c3ccc4c(c3)N(Cc3cnc5[nH]ncc5c3)CC4C)cc(C(F)(F)F)c2)cn1
• InChI: InChI=1S/C28H24F3N7O/c1-16-12-37(14-18-5-20-11-34-36-26(20)32-10-18)25-6-19(3-4-24(16)25)27(39)35-22-7-21(28(29,30)31)8-23(9-22)38-13-17(2)33-15-38/h3-11,13,15-16H,12,14H2,1-2H3,(H,35,39)(H,32,34,36)
• InChIKey: KIZBLAQXFQODTP-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 91.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.54
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-2,3-dihydroindole-6-carboxamide?

The IUPAC name of 3-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-2,3-dihydroindole-6-carboxamide (CID 165142587) is 3-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-2,3-dihydroindole-6-carboxamide.

What is the SMILES notation for 3-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-2,3-dihydroindole-6-carboxamide?

The canonical SMILES for 3-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-2,3-dihydroindole-6-carboxamide is Cc1cn(-c2cc(NC(=O)c3ccc4c(c3)N(Cc3cnc5[nH]ncc5c3)CC4C)cc(C(F)(F)F)c2)cn1.

What is the InChIKey of 3-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-2,3-dihydroindole-6-carboxamide?

The InChIKey is KIZBLAQXFQODTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3N7O/c1-16-12-37(14-18-5-20-11-34-36-26(20)32-10-18)25-6-19(3-4-24(16)25)27(39)35-22-7-21(28(29,30)31)8-23(9-22)38-13-17(2)33-15-38/h3-11,13,15-16H,12,14H2,1-2H3,(H,35,39)(H,32,34,36).

What are the key properties of 3-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-2,3-dihydroindole-6-carboxamide?

3-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-2,3-dihydroindole-6-carboxamide has a molecular weight of 531.54 g/mol, XLogP of 5.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-2,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 165142587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).