2-[[5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carbonyl]amino]oxirane-2-carboxylic acid

C19H16FN3O5 — CID 170603738

IUPAC2-[[5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carbonyl]amino]oxirane-2-carboxylic acid
SMILESCc1nn2ccc(OCc3ccccc3F)cc2c1C(=O)NC1(C(=O)O)CO1
InChIInChI=1S/C19H16FN3O5/c1-11-16(17(24)21-19(10-28-19)18(25)26)15-8-13(6-7-23(15)22-11)27-9-12-4-2-3-5-14(12)20/h2-8H,9-10H2,1H3,(H,21,24)(H,25,26)
InChIKeyOWNZXTRPSVANBL-UHFFFAOYSA-N
MW385.35 g/mol
LogP1.90
Rot. Bonds6

About 2-[[5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carbonyl]amino]oxirane-2-carboxylic acid

2-[[5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carbonyl]amino]oxirane-2-carboxylic acid (PubChem CID 170603738) has the molecular formula C19H16FN3O5 and a molecular weight of 385.35 g/mol. Its IUPAC name is 2-[[5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carbonyl]amino]oxirane-2-carboxylic acid.

Molecular Properties

Compound Name2-[[5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carbonyl]amino]oxirane-2-carboxylic acid
PubChem CID170603738
Molecular FormulaC19H16FN3O5
Molecular Weight385.35 g/mol
Exact Mass385.11
IUPAC Name2-[[5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carbonyl]amino]oxirane-2-carboxylic acid
SMILESCc1nn2ccc(OCc3ccccc3F)cc2c1C(=O)NC1(C(=O)O)CO1
InChIInChI=1S/C19H16FN3O5/c1-11-16(17(24)21-19(10-28-19)18(25)26)15-8-13(6-7-23(15)22-11)27-9-12-4-2-3-5-14(12)20/h2-8H,9-10H2,1H3,(H,21,24)(H,25,26)
InChIKeyOWNZXTRPSVANBL-UHFFFAOYSA-N
XLogP1.90
TPSA105.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

US9926282, Example 181
CID 145995277
US9926282, Example 185
CID 145995281
US9926282, Example 186
CID 145995282
US9926282, Example 194
CID 145995290
Ethyl 5-(4-(trifluoromethoxy)benzamido)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797823
2-(4-fluorophenyl)-5-methoxy-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 59233781
Ethyl 2-(4-fluorophenyl)-5-methoxy-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 70800567
2-(4-Fluorophenyl)-5-methoxypyrazolo[1,5-a]pyridine-3-carboxamide
CID 70909679
2-[5-[5-[(2,6-Difluoro-phenyl)-carbamoyl]-2-methyl-2H-pyrazol-3-yl]-4-methyl-pyridin-2-yl]oxy-acetic acid
CID 118130779
Ethyl 2-(4-fluorophenyl)-5-methoxy-6-(pent-4-enylamino)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 121481100
3-[[4-[[2-(Trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methoxy]benzoyl]amino]propanoic acid
CID 123361638
ethyl 5-[[(1R)-1-[5-fluoro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]ethyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 124171340

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carbonyl]amino]oxirane-2-carboxylic acid?
The IUPAC name of 2-[[5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carbonyl]amino]oxirane-2-carboxylic acid (CID 170603738) is 2-[[5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carbonyl]amino]oxirane-2-carboxylic acid.
What is the SMILES notation for 2-[[5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carbonyl]amino]oxirane-2-carboxylic acid?
The canonical SMILES for 2-[[5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carbonyl]amino]oxirane-2-carboxylic acid is Cc1nn2ccc(OCc3ccccc3F)cc2c1C(=O)NC1(C(=O)O)CO1.
What is the InChIKey of 2-[[5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carbonyl]amino]oxirane-2-carboxylic acid?
The InChIKey is OWNZXTRPSVANBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O5/c1-11-16(17(24)21-19(10-28-19)18(25)26)15-8-13(6-7-23(15)22-11)27-9-12-4-2-3-5-14(12)20/h2-8H,9-10H2,1H3,(H,21,24)(H,25,26).
What are the key properties of 2-[[5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carbonyl]amino]oxirane-2-carboxylic acid?
2-[[5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carbonyl]amino]oxirane-2-carboxylic acid has a molecular weight of 385.35 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carbonyl]amino]oxirane-2-carboxylic acid is sourced from PubChem (CID 170603738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).