(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidine-3-carboxylic acid;propanamide

C24H29N5O4 — CID 135355563

IUPAC(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidine-3-carboxylic acid;propanamide
SMILESCCC(N)=O.Cn1cc(-c2cnn(Cc3ccccc3)c2)c(N2CC[C@H](C(=O)O)C2)cc1=O
InChIInChI=1S/C21H22N4O3.C3H7NO/c1-23-14-18(17-10-22-25(13-17)11-15-5-3-2-4-6-15)19(9-20(23)26)24-8-7-16(12-24)21(27)28;1-2-3(4)5/h2-6,9-10,13-14,16H,7-8,11-12H2,1H3,(H,27,28);2H2,1H3,(H2,4,5)/t16-;/m0./s1
InChIKeyXPJKEVFRIJGJCH-NTISSMGPSA-N
MW451.53 g/mol
LogP2.09
Rot. Bonds6

About (3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidine-3-carboxylic acid;propanamide

(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidine-3-carboxylic acid;propanamide (PubChem CID 135355563) has the molecular formula C24H29N5O4 and a molecular weight of 451.53 g/mol. Its IUPAC name is (3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidine-3-carboxylic acid;propanamide.

Molecular Properties

Compound Name(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidine-3-carboxylic acid;propanamide
PubChem CID135355563
Molecular FormulaC24H29N5O4
Molecular Weight451.53 g/mol
Exact Mass451.22
IUPAC Name(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidine-3-carboxylic acid;propanamide
SMILESCCC(N)=O.Cn1cc(-c2cnn(Cc3ccccc3)c2)c(N2CC[C@H](C(=O)O)C2)cc1=O
InChIInChI=1S/C21H22N4O3.C3H7NO/c1-23-14-18(17-10-22-25(13-17)11-15-5-3-2-4-6-15)19(9-20(23)26)24-8-7-16(12-24)21(27)28;1-2-3(4)5/h2-6,9-10,13-14,16H,7-8,11-12H2,1H3,(H,27,28);2H2,1H3,(H2,4,5)/t16-;/m0./s1
InChIKeyXPJKEVFRIJGJCH-NTISSMGPSA-N
XLogP2.09
TPSA123.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidine-3-carboxylic acid;propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidine-3-carboxylic acid;propanamide?
The IUPAC name of (3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidine-3-carboxylic acid;propanamide (CID 135355563) is (3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidine-3-carboxylic acid;propanamide.
What is the SMILES notation for (3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidine-3-carboxylic acid;propanamide?
The canonical SMILES for (3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidine-3-carboxylic acid;propanamide is CCC(N)=O.Cn1cc(-c2cnn(Cc3ccccc3)c2)c(N2CC[C@H](C(=O)O)C2)cc1=O.
What is the InChIKey of (3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidine-3-carboxylic acid;propanamide?
The InChIKey is XPJKEVFRIJGJCH-NTISSMGPSA-N. The full InChI is InChI=1S/C21H22N4O3.C3H7NO/c1-23-14-18(17-10-22-25(13-17)11-15-5-3-2-4-6-15)19(9-20(23)26)24-8-7-16(12-24)21(27)28;1-2-3(4)5/h2-6,9-10,13-14,16H,7-8,11-12H2,1H3,(H,27,28);2H2,1H3,(H2,4,5)/t16-;/m0./s1.
What are the key properties of (3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidine-3-carboxylic acid;propanamide?
(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidine-3-carboxylic acid;propanamide has a molecular weight of 451.53 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidine-3-carboxylic acid;propanamide is sourced from PubChem (CID 135355563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).