7-[(2,6-difluorophenyl)methoxy]-2,5-dimethyl-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrazolo[1,5-a]pyridine-3-carbohydrazide;2,2,2-trifluoroacetic acid

C25H24F5N5O6 — CID 130234406

IUPAC7-[(2,6-difluorophenyl)methoxy]-2,5-dimethyl-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrazolo[1,5-a]pyridine-3-carbohydrazide;2,2,2-trifluoroacetic acid
SMILESCc1cc(OCc2c(F)cccc2F)n2nc(C)c(C(=O)NNC(=O)CN3CCCC3=O)c2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H23F2N5O4.C2HF3O2/c1-13-9-18-22(23(33)27-26-19(31)11-29-8-4-7-20(29)32)14(2)28-30(18)21(10-13)34-12-15-16(24)5-3-6-17(15)25;3-2(4,5)1(6)7/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3,(H,26,31)(H,27,33);(H,6,7)
InChIKeyYYEREYVPBRLUTH-UHFFFAOYSA-N
MW585.49 g/mol
LogP2.83
Rot. Bonds6

About 7-[(2,6-difluorophenyl)methoxy]-2,5-dimethyl-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrazolo[1,5-a]pyridine-3-carbohydrazide;2,2,2-trifluoroacetic acid

7-[(2,6-difluorophenyl)methoxy]-2,5-dimethyl-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrazolo[1,5-a]pyridine-3-carbohydrazide;2,2,2-trifluoroacetic acid (PubChem CID 130234406) has the molecular formula C25H24F5N5O6 and a molecular weight of 585.49 g/mol. Its IUPAC name is 7-[(2,6-difluorophenyl)methoxy]-2,5-dimethyl-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrazolo[1,5-a]pyridine-3-carbohydrazide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name7-[(2,6-difluorophenyl)methoxy]-2,5-dimethyl-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrazolo[1,5-a]pyridine-3-carbohydrazide;2,2,2-trifluoroacetic acid
PubChem CID130234406
Molecular FormulaC25H24F5N5O6
Molecular Weight585.49 g/mol
Exact Mass585.16
IUPAC Name7-[(2,6-difluorophenyl)methoxy]-2,5-dimethyl-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrazolo[1,5-a]pyridine-3-carbohydrazide;2,2,2-trifluoroacetic acid
SMILESCc1cc(OCc2c(F)cccc2F)n2nc(C)c(C(=O)NNC(=O)CN3CCCC3=O)c2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H23F2N5O4.C2HF3O2/c1-13-9-18-22(23(33)27-26-19(31)11-29-8-4-7-20(29)32)14(2)28-30(18)21(10-13)34-12-15-16(24)5-3-6-17(15)25;3-2(4,5)1(6)7/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3,(H,26,31)(H,27,33);(H,6,7)
InChIKeyYYEREYVPBRLUTH-UHFFFAOYSA-N
XLogP2.83
TPSA142.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.49
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(2,6-difluorophenyl)methoxy]-2,5-dimethyl-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrazolo[1,5-a]pyridine-3-carbohydrazide;2,2,2-trifluoroacetic acid?
The IUPAC name of 7-[(2,6-difluorophenyl)methoxy]-2,5-dimethyl-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrazolo[1,5-a]pyridine-3-carbohydrazide;2,2,2-trifluoroacetic acid (CID 130234406) is 7-[(2,6-difluorophenyl)methoxy]-2,5-dimethyl-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrazolo[1,5-a]pyridine-3-carbohydrazide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 7-[(2,6-difluorophenyl)methoxy]-2,5-dimethyl-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrazolo[1,5-a]pyridine-3-carbohydrazide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 7-[(2,6-difluorophenyl)methoxy]-2,5-dimethyl-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrazolo[1,5-a]pyridine-3-carbohydrazide;2,2,2-trifluoroacetic acid is Cc1cc(OCc2c(F)cccc2F)n2nc(C)c(C(=O)NNC(=O)CN3CCCC3=O)c2c1.O=C(O)C(F)(F)F.
What is the InChIKey of 7-[(2,6-difluorophenyl)methoxy]-2,5-dimethyl-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrazolo[1,5-a]pyridine-3-carbohydrazide;2,2,2-trifluoroacetic acid?
The InChIKey is YYEREYVPBRLUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N5O4.C2HF3O2/c1-13-9-18-22(23(33)27-26-19(31)11-29-8-4-7-20(29)32)14(2)28-30(18)21(10-13)34-12-15-16(24)5-3-6-17(15)25;3-2(4,5)1(6)7/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3,(H,26,31)(H,27,33);(H,6,7).
What are the key properties of 7-[(2,6-difluorophenyl)methoxy]-2,5-dimethyl-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrazolo[1,5-a]pyridine-3-carbohydrazide;2,2,2-trifluoroacetic acid?
7-[(2,6-difluorophenyl)methoxy]-2,5-dimethyl-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrazolo[1,5-a]pyridine-3-carbohydrazide;2,2,2-trifluoroacetic acid has a molecular weight of 585.49 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,6-difluorophenyl)methoxy]-2,5-dimethyl-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrazolo[1,5-a]pyridine-3-carbohydrazide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 130234406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).