1-(4-methylphenyl)-5-oxo-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

C20H20N4O2 — CID 71790727

IUPAC1-(4-methylphenyl)-5-oxo-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCc3cnn4ccccc34)CC2=O)cc1
InChIInChI=1S/C20H20N4O2/c1-14-5-7-17(8-6-14)23-13-15(10-19(23)25)20(26)21-11-16-12-22-24-9-3-2-4-18(16)24/h2-9,12,15H,10-11,13H2,1H3,(H,21,26)
InChIKeyZKQMAGRNEGBTCW-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.31
Rot. Bonds4

About 1-(4-methylphenyl)-5-oxo-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

1-(4-methylphenyl)-5-oxo-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 71790727) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-oxo-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-oxo-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID71790727
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-(4-methylphenyl)-5-oxo-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCc3cnn4ccccc34)CC2=O)cc1
InChIInChI=1S/C20H20N4O2/c1-14-5-7-17(8-6-14)23-13-15(10-19(23)25)20(26)21-11-16-12-22-24-9-3-2-4-18(16)24/h2-9,12,15H,10-11,13H2,1H3,(H,21,26)
InChIKeyZKQMAGRNEGBTCW-UHFFFAOYSA-N
XLogP2.31
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9103777
(3S)-N-[(2-methylphenyl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40978837
(3S)-1-(4-methylphenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 33278455
1-(4-methylsulfanylphenyl)-5-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 42944485
(3S)-1-(4-methylphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide
CID 42477859
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18086788
(3S)-N-(2-acetamidoethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30595729
1-(4-methylphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 51154055
cis-(1R,3S)-3-amino-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)cyclopentane-1-carboxamide
CID 133127188
1-(4-methylphenyl)-5-oxo-N-(3-phenylprop-2-ynyl)pyrrolidine-3-carboxamide
CID 51332420
(3R)-1-(4-methylphenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 2266184
3-[[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 108745437

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-oxo-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-5-oxo-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (CID 71790727) is 1-(4-methylphenyl)-5-oxo-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-5-oxo-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-5-oxo-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)NCc3cnn4ccccc34)CC2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-5-oxo-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is ZKQMAGRNEGBTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14-5-7-17(8-6-14)23-13-15(10-19(23)25)20(26)21-11-16-12-22-24-9-3-2-4-18(16)24/h2-9,12,15H,10-11,13H2,1H3,(H,21,26).
What are the key properties of 1-(4-methylphenyl)-5-oxo-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
1-(4-methylphenyl)-5-oxo-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-5-oxo-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 71790727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).