N-[(3R,4S)-4-(4-methylphenyl)-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)pyrrolidin-3-yl]acetamide

C21H22N4O2 — CID 164631404

IUPACN-[(3R,4S)-4-(4-methylphenyl)-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CN(C(=O)c2cnn3ccccc23)C[C@@H]1c1ccc(C)cc1
InChIInChI=1S/C21H22N4O2/c1-14-6-8-16(9-7-14)18-12-24(13-19(18)23-15(2)26)21(27)17-11-22-25-10-4-3-5-20(17)25/h3-11,18-19H,12-13H2,1-2H3,(H,23,26)/t18-,19+/m1/s1
InChIKeyCIJFDMPACXRZPA-MOPGFXCFSA-N
MW362.43 g/mol
LogP2.39
Rot. Bonds3

About N-[(3R,4S)-4-(4-methylphenyl)-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)pyrrolidin-3-yl]acetamide

N-[(3R,4S)-4-(4-methylphenyl)-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)pyrrolidin-3-yl]acetamide (PubChem CID 164631404) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[(3R,4S)-4-(4-methylphenyl)-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(4-methylphenyl)-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)pyrrolidin-3-yl]acetamide
PubChem CID164631404
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[(3R,4S)-4-(4-methylphenyl)-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CN(C(=O)c2cnn3ccccc23)C[C@@H]1c1ccc(C)cc1
InChIInChI=1S/C21H22N4O2/c1-14-6-8-16(9-7-14)18-12-24(13-19(18)23-15(2)26)21(27)17-11-22-25-10-4-3-5-20(17)25/h3-11,18-19H,12-13H2,1-2H3,(H,23,26)/t18-,19+/m1/s1
InChIKeyCIJFDMPACXRZPA-MOPGFXCFSA-N
XLogP2.39
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4R)-1-[2-(difluoromethyl)pyrazole-3-carbonyl]-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
CID 70771739
N-[1-[2-(difluoromethyl)pyrazole-3-carbonyl]-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
CID 78086979
N-[(3S,4R)-4-(4-methylphenyl)-1-(2-pyridin-2-ylsulfanylacetyl)pyrrolidin-3-yl]acetamide
CID 70739524
(3-amino-5-methylpiperidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103120978
[3-(3-methylphenoxy)azetidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 70723973
[3-(methylamino)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone;hydrochloride
CID 119413658
N-[4-(4-methoxyphenyl)-1-(4-methylpyridine-3-carbonyl)pyrrolidin-3-yl]acetamide
CID 78082924
(3S,4R)-3-acetamido-N-cyclohexyl-4-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 70753721
N-[(3R,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
CID 133128197
N-[(3R,4S)-1-(1,3-benzodioxole-5-carbonyl)-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
CID 164630799
[3-ethyl-4-(methylamino)piperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103115705
N-[(3S,4R)-1-[4-(2-methylimidazol-1-yl)butanoyl]-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
CID 70711883

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(4-methylphenyl)-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3R,4S)-4-(4-methylphenyl)-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)pyrrolidin-3-yl]acetamide (CID 164631404) is N-[(3R,4S)-4-(4-methylphenyl)-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R,4S)-4-(4-methylphenyl)-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3R,4S)-4-(4-methylphenyl)-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)pyrrolidin-3-yl]acetamide is CC(=O)N[C@H]1CN(C(=O)c2cnn3ccccc23)C[C@@H]1c1ccc(C)cc1.
What is the InChIKey of N-[(3R,4S)-4-(4-methylphenyl)-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)pyrrolidin-3-yl]acetamide?
The InChIKey is CIJFDMPACXRZPA-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14-6-8-16(9-7-14)18-12-24(13-19(18)23-15(2)26)21(27)17-11-22-25-10-4-3-5-20(17)25/h3-11,18-19H,12-13H2,1-2H3,(H,23,26)/t18-,19+/m1/s1.
What are the key properties of N-[(3R,4S)-4-(4-methylphenyl)-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)pyrrolidin-3-yl]acetamide?
N-[(3R,4S)-4-(4-methylphenyl)-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)pyrrolidin-3-yl]acetamide has a molecular weight of 362.43 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(4-methylphenyl)-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 164631404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).