(3R)-1-(2-ethylphenyl)-5-oxo-N-[(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]pyrrolidine-3-carboxamide

C23H27N5O3 — CID 95769830

IUPAC(3R)-1-(2-ethylphenyl)-5-oxo-N-[(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]pyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1C[C@H](C(=O)NCc2c(C)nc3c(c2C)c(=O)[nH]n3C)CC1=O
InChIInChI=1S/C23H27N5O3/c1-5-15-8-6-7-9-18(15)28-12-16(10-19(28)29)22(30)24-11-17-13(2)20-21(25-14(17)3)27(4)26-23(20)31/h6-9,16H,5,10-12H2,1-4H3,(H,24,30)(H,26,31)/t16-/m1/s1
InChIKeyXCVZYZNLUXXYTB-MRXNPFEDSA-N
MW421.50 g/mol
LogP2.11
Rot. Bonds5

About (3R)-1-(2-ethylphenyl)-5-oxo-N-[(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]pyrrolidine-3-carboxamide

(3R)-1-(2-ethylphenyl)-5-oxo-N-[(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 95769830) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is (3R)-1-(2-ethylphenyl)-5-oxo-N-[(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-ethylphenyl)-5-oxo-N-[(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID95769830
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name(3R)-1-(2-ethylphenyl)-5-oxo-N-[(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]pyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1C[C@H](C(=O)NCc2c(C)nc3c(c2C)c(=O)[nH]n3C)CC1=O
InChIInChI=1S/C23H27N5O3/c1-5-15-8-6-7-9-18(15)28-12-16(10-19(28)29)22(30)24-11-17-13(2)20-21(25-14(17)3)27(4)26-23(20)31/h6-9,16H,5,10-12H2,1-4H3,(H,24,30)(H,26,31)/t16-/m1/s1
InChIKeyXCVZYZNLUXXYTB-MRXNPFEDSA-N
XLogP2.11
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-1-(2-ethylphenyl)-5-oxo-N-[(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]pyrrolidine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(ethylamino)ethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119507215
N-(2,6-diethylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186319
(3R)-1-(2-ethylphenyl)-5-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 129366319
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51146905
(3R)-1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 26644337
1-(2-bromophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 71881105
N-[2-(4-aminophenyl)ethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119548686
1-(2-ethylphenyl)-5-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 55688415
1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 51148262
(3R)-1-(2-ethylphenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9004571
1-(2-ethylphenyl)-5-oxo-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 45020940
1-(2-ethylphenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120827980

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-ethylphenyl)-5-oxo-N-[(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-ethylphenyl)-5-oxo-N-[(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]pyrrolidine-3-carboxamide (CID 95769830) is (3R)-1-(2-ethylphenyl)-5-oxo-N-[(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-ethylphenyl)-5-oxo-N-[(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-ethylphenyl)-5-oxo-N-[(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]pyrrolidine-3-carboxamide is CCc1ccccc1N1C[C@H](C(=O)NCc2c(C)nc3c(c2C)c(=O)[nH]n3C)CC1=O.
What is the InChIKey of (3R)-1-(2-ethylphenyl)-5-oxo-N-[(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is XCVZYZNLUXXYTB-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-5-15-8-6-7-9-18(15)28-12-16(10-19(28)29)22(30)24-11-17-13(2)20-21(25-14(17)3)27(4)26-23(20)31/h6-9,16H,5,10-12H2,1-4H3,(H,24,30)(H,26,31)/t16-/m1/s1.
What are the key properties of (3R)-1-(2-ethylphenyl)-5-oxo-N-[(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]pyrrolidine-3-carboxamide?
(3R)-1-(2-ethylphenyl)-5-oxo-N-[(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-ethylphenyl)-5-oxo-N-[(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 95769830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).