1-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide

C26H24F3N7O2 — CID 24888934

About 1-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide

1-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide (PubChem CID 24888934) has the molecular formula C26H24F3N7O2 and a molecular weight of 523.52 g/mol. Its IUPAC name is 1-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide
• PubChem CID: 24888934
• Molecular Formula: C26H24F3N7O2
• Molecular Weight: 523.52 g/mol
• Exact Mass: 523.19
• IUPAC Name: 1-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide
• SMILES: CNC(=O)C1(c2cc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c3c(N)nn(C)c3n2)CC1
• InChI: InChI=1S/C26H24F3N7O2/c1-31-23(37)25(10-11-25)19-13-18(20-21(30)35-36(2)22(20)34-19)14-6-8-16(9-7-14)32-24(38)33-17-5-3-4-15(12-17)26(27,28)29/h3-9,12-13H,10-11H2,1-2H3,(H2,30,35)(H,31,37)(H2,32,33,38)
• InChIKey: XTYNHHMGHVCFJJ-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 126.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.52
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide?

The IUPAC name of 1-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide (CID 24888934) is 1-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide.

What is the SMILES notation for 1-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide?

The canonical SMILES for 1-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide is CNC(=O)C1(c2cc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c3c(N)nn(C)c3n2)CC1.

What is the InChIKey of 1-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide?

The InChIKey is XTYNHHMGHVCFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N7O2/c1-31-23(37)25(10-11-25)19-13-18(20-21(30)35-36(2)22(20)34-19)14-6-8-16(9-7-14)32-24(38)33-17-5-3-4-15(12-17)26(27,28)29/h3-9,12-13H,10-11H2,1-2H3,(H2,30,35)(H,31,37)(H2,32,33,38).

What are the key properties of 1-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide?

1-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide has a molecular weight of 523.52 g/mol, XLogP of 4.66, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 24888934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).