5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridine-3-carboxamide

C21H22F2N4O2 — CID 71599938

IUPAC5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOCCNC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)cc12
InChIInChI=1S/C21H22F2N4O2/c1-29-10-7-24-21(28)17-13-25-27-9-6-15(12-20(17)27)26-8-2-3-19(26)16-11-14(22)4-5-18(16)23/h4-6,9,11-13,19H,2-3,7-8,10H2,1H3,(H,24,28)/t19-/m1/s1
InChIKeyFEFXDSPBFBYQNL-LJQANCHMSA-N
MW400.43 g/mol
LogP3.33
Rot. Bonds6

About 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridine-3-carboxamide

5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 71599938) has the molecular formula C21H22F2N4O2 and a molecular weight of 400.43 g/mol. Its IUPAC name is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID71599938
Molecular FormulaC21H22F2N4O2
Molecular Weight400.43 g/mol
Exact Mass400.17
IUPAC Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOCCNC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)cc12
InChIInChI=1S/C21H22F2N4O2/c1-29-10-7-24-21(28)17-13-25-27-9-6-15(12-20(17)27)26-8-2-3-19(26)16-11-14(22)4-5-18(16)23/h4-6,9,11-13,19H,2-3,7-8,10H2,1H3,(H,24,28)/t19-/m1/s1
InChIKeyFEFXDSPBFBYQNL-LJQANCHMSA-N
XLogP3.33
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 71599938) is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridine-3-carboxamide is COCCNC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)cc12.
What is the InChIKey of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is FEFXDSPBFBYQNL-LJQANCHMSA-N. The full InChI is InChI=1S/C21H22F2N4O2/c1-29-10-7-24-21(28)17-13-25-27-9-6-15(12-20(17)27)26-8-2-3-19(26)16-11-14(22)4-5-18(16)23/h4-6,9,11-13,19H,2-3,7-8,10H2,1H3,(H,24,28)/t19-/m1/s1.
What are the key properties of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 400.43 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 71599938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).