7-(4-ethoxyanilino)-6-methyl-5-[[4-(2-methylpropylamino)cyclohexyl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile;2,2,2-trifluoroacetic acid

C29H37F3N6O3 — CID 69274343

About 7-(4-ethoxyanilino)-6-methyl-5-[[4-(2-methylpropylamino)cyclohexyl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile;2,2,2-trifluoroacetic acid

7-(4-ethoxyanilino)-6-methyl-5-[[4-(2-methylpropylamino)cyclohexyl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile;2,2,2-trifluoroacetic acid (PubChem CID 69274343) has the molecular formula C29H37F3N6O3 and a molecular weight of 574.65 g/mol. Its IUPAC name is 7-(4-ethoxyanilino)-6-methyl-5-[[4-(2-methylpropylamino)cyclohexyl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 7-(4-ethoxyanilino)-6-methyl-5-[[4-(2-methylpropylamino)cyclohexyl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile;2,2,2-trifluoroacetic acid
• PubChem CID: 69274343
• Molecular Formula: C29H37F3N6O3
• Molecular Weight: 574.65 g/mol
• Exact Mass: 574.29
• IUPAC Name: 7-(4-ethoxyanilino)-6-methyl-5-[[4-(2-methylpropylamino)cyclohexyl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile;2,2,2-trifluoroacetic acid
• SMILES: CCOc1ccc(Nc2c(C)c(NC3CCC(NCC(C)C)CC3)c(C#N)c3ccnn23)cc1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C27H36N6O.C2HF3O2/c1-5-34-23-12-10-22(11-13-23)32-27-19(4)26(24(16-28)25-14-15-30-33(25)27)31-21-8-6-20(7-9-21)29-17-18(2)3;3-2(4,5)1(6)7/h10-15,18,20-21,29,31-32H,5-9,17H2,1-4H3;(H,6,7)
• InChIKey: IKQQYPJHIIKGHV-UHFFFAOYSA-N
• XLogP: 6.26
• TPSA: 123.71 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.65
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-(4-ethoxyanilino)-6-methyl-5-[[4-(2-methylpropylamino)cyclohexyl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile;2,2,2-trifluoroacetic acid?

The IUPAC name of 7-(4-ethoxyanilino)-6-methyl-5-[[4-(2-methylpropylamino)cyclohexyl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile;2,2,2-trifluoroacetic acid (CID 69274343) is 7-(4-ethoxyanilino)-6-methyl-5-[[4-(2-methylpropylamino)cyclohexyl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 7-(4-ethoxyanilino)-6-methyl-5-[[4-(2-methylpropylamino)cyclohexyl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile;2,2,2-trifluoroacetic acid?

The canonical SMILES for 7-(4-ethoxyanilino)-6-methyl-5-[[4-(2-methylpropylamino)cyclohexyl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile;2,2,2-trifluoroacetic acid is CCOc1ccc(Nc2c(C)c(NC3CCC(NCC(C)C)CC3)c(C#N)c3ccnn23)cc1.O=C(O)C(F)(F)F.

What is the InChIKey of 7-(4-ethoxyanilino)-6-methyl-5-[[4-(2-methylpropylamino)cyclohexyl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile;2,2,2-trifluoroacetic acid?

The InChIKey is IKQQYPJHIIKGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O.C2HF3O2/c1-5-34-23-12-10-22(11-13-23)32-27-19(4)26(24(16-28)25-14-15-30-33(25)27)31-21-8-6-20(7-9-21)29-17-18(2)3;3-2(4,5)1(6)7/h10-15,18,20-21,29,31-32H,5-9,17H2,1-4H3;(H,6,7).

What are the key properties of 7-(4-ethoxyanilino)-6-methyl-5-[[4-(2-methylpropylamino)cyclohexyl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile;2,2,2-trifluoroacetic acid?

7-(4-ethoxyanilino)-6-methyl-5-[[4-(2-methylpropylamino)cyclohexyl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile;2,2,2-trifluoroacetic acid has a molecular weight of 574.65 g/mol, XLogP of 6.26, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-ethoxyanilino)-6-methyl-5-[[4-(2-methylpropylamino)cyclohexyl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69274343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).