7-[(2,6-difluorophenyl)methoxy]-2,5-dimethyl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

C29H27F5N4O4 — CID 130234397

About 7-[(2,6-difluorophenyl)methoxy]-2,5-dimethyl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

7-[(2,6-difluorophenyl)methoxy]-2,5-dimethyl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 130234397) has the molecular formula C29H27F5N4O4 and a molecular weight of 590.55 g/mol. Its IUPAC name is 7-[(2,6-difluorophenyl)methoxy]-2,5-dimethyl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 7-[(2,6-difluorophenyl)methoxy]-2,5-dimethyl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 130234397
• Molecular Formula: C29H27F5N4O4
• Molecular Weight: 590.55 g/mol
• Exact Mass: 590.20
• IUPAC Name: 7-[(2,6-difluorophenyl)methoxy]-2,5-dimethyl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: Cc1cc(OCc2c(F)cccc2F)n2nc(C)c(C(=O)NC3CCN(C)c4ccccc43)c2c1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C27H26F2N4O2.C2HF3O2/c1-16-13-24-26(27(34)30-22-11-12-32(3)23-10-5-4-7-18(22)23)17(2)31-33(24)25(14-16)35-15-19-20(28)8-6-9-21(19)29;3-2(4,5)1(6)7/h4-10,13-14,22H,11-12,15H2,1-3H3,(H,30,34);(H,6,7)
• InChIKey: KLXNOHLSIUCASB-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 96.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.55
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[(2,6-difluorophenyl)methoxy]-2,5-dimethyl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 7-[(2,6-difluorophenyl)methoxy]-2,5-dimethyl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 130234397) is 7-[(2,6-difluorophenyl)methoxy]-2,5-dimethyl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 7-[(2,6-difluorophenyl)methoxy]-2,5-dimethyl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 7-[(2,6-difluorophenyl)methoxy]-2,5-dimethyl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is Cc1cc(OCc2c(F)cccc2F)n2nc(C)c(C(=O)NC3CCN(C)c4ccccc43)c2c1.O=C(O)C(F)(F)F.

What is the InChIKey of 7-[(2,6-difluorophenyl)methoxy]-2,5-dimethyl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is KLXNOHLSIUCASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N4O2.C2HF3O2/c1-16-13-24-26(27(34)30-22-11-12-32(3)23-10-5-4-7-18(22)23)17(2)31-33(24)25(14-16)35-15-19-20(28)8-6-9-21(19)29;3-2(4,5)1(6)7/h4-10,13-14,22H,11-12,15H2,1-3H3,(H,30,34);(H,6,7).

What are the key properties of 7-[(2,6-difluorophenyl)methoxy]-2,5-dimethyl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?

7-[(2,6-difluorophenyl)methoxy]-2,5-dimethyl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 590.55 g/mol, XLogP of 5.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(2,6-difluorophenyl)methoxy]-2,5-dimethyl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 130234397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).