N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C23H20FN5O2 — CID 175682329

IUPACN-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESC/C=C/c1ccn2ncc(C(=O)Nc3cc(-c4noc([C@H]5C[C@@H]5F)n4)ccc3C)c2c1
InChIInChI=1S/C23H20FN5O2/c1-3-4-14-7-8-29-20(9-14)17(12-25-29)22(30)26-19-10-15(6-5-13(19)2)21-27-23(31-28-21)16-11-18(16)24/h3-10,12,16,18H,11H2,1-2H3,(H,26,30)/b4-3+/t16-,18-/m0/s1
InChIKeyFIPYYZDMRXMENH-YPZLONQISA-N
MW417.44 g/mol
LogP4.80
Rot. Bonds5

About N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyridine-3-carboxamide

N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 175682329) has the molecular formula C23H20FN5O2 and a molecular weight of 417.44 g/mol. Its IUPAC name is N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID175682329
Molecular FormulaC23H20FN5O2
Molecular Weight417.44 g/mol
Exact Mass417.16
IUPAC NameN-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESC/C=C/c1ccn2ncc(C(=O)Nc3cc(-c4noc([C@H]5C[C@@H]5F)n4)ccc3C)c2c1
InChIInChI=1S/C23H20FN5O2/c1-3-4-14-7-8-29-20(9-14)17(12-25-29)22(30)26-19-10-15(6-5-13(19)2)21-27-23(31-28-21)16-11-18(16)24/h3-10,12,16,18H,11H2,1-2H3,(H,26,30)/b4-3+/t16-,18-/m0/s1
InChIKeyFIPYYZDMRXMENH-YPZLONQISA-N
XLogP4.80
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 175682329) is N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyridine-3-carboxamide is C/C=C/c1ccn2ncc(C(=O)Nc3cc(-c4noc([C@H]5C[C@@H]5F)n4)ccc3C)c2c1.
What is the InChIKey of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is FIPYYZDMRXMENH-YPZLONQISA-N. The full InChI is InChI=1S/C23H20FN5O2/c1-3-4-14-7-8-29-20(9-14)17(12-25-29)22(30)26-19-10-15(6-5-13(19)2)21-27-23(31-28-21)16-11-18(16)24/h3-10,12,16,18H,11H2,1-2H3,(H,26,30)/b4-3+/t16-,18-/m0/s1.
What are the key properties of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 417.44 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 175682329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).