(3R)-1-(2-chlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide

C18H16ClN5O2 — CID 129380873

IUPAC(3R)-1-(2-chlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1[nH]nc2ncc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4Cl)C3)cc12
InChIInChI=1S/C18H16ClN5O2/c1-10-13-7-12(8-20-17(13)23-22-10)21-18(26)11-6-16(25)24(9-11)15-5-3-2-4-14(15)19/h2-5,7-8,11H,6,9H2,1H3,(H,21,26)(H,20,22,23)/t11-/m1/s1
InChIKeyQGASHQLSRLBVTJ-LLVKDONJSA-N
MW369.81 g/mol
LogP2.91
Rot. Bonds3

About (3R)-1-(2-chlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-(2-chlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 129380873) has the molecular formula C18H16ClN5O2 and a molecular weight of 369.81 g/mol. Its IUPAC name is (3R)-1-(2-chlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-chlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID129380873
Molecular FormulaC18H16ClN5O2
Molecular Weight369.81 g/mol
Exact Mass369.10
IUPAC Name(3R)-1-(2-chlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1[nH]nc2ncc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4Cl)C3)cc12
InChIInChI=1S/C18H16ClN5O2/c1-10-13-7-12(8-20-17(13)23-22-10)21-18(26)11-6-16(25)24(9-11)15-5-3-2-4-14(15)19/h2-5,7-8,11H,6,9H2,1H3,(H,21,26)(H,20,22,23)/t11-/m1/s1
InChIKeyQGASHQLSRLBVTJ-LLVKDONJSA-N
XLogP2.91
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-difluorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 86843582
1-(1-methylazetidin-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 167903719
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 139010453
(3S)-1-(2-chlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26721715
(3S)-1-(2-chlorophenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 804381
N-(4-acetamidophenyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2951564
1-(2-chlorophenyl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51159175
1-(2-chlorophenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2967716
(3S)-1-(2-chlorophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40569550
1-(2-chlorophenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46440498
(3R)-1-(3-chloro-2-methylphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124523156
(3R)-1-(2,3-dichlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529134

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-chlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-chlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide (CID 129380873) is (3R)-1-(2-chlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-chlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-chlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide is Cc1[nH]nc2ncc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4Cl)C3)cc12.
What is the InChIKey of (3R)-1-(2-chlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QGASHQLSRLBVTJ-LLVKDONJSA-N. The full InChI is InChI=1S/C18H16ClN5O2/c1-10-13-7-12(8-20-17(13)23-22-10)21-18(26)11-6-16(25)24(9-11)15-5-3-2-4-14(15)19/h2-5,7-8,11H,6,9H2,1H3,(H,21,26)(H,20,22,23)/t11-/m1/s1.
What are the key properties of (3R)-1-(2-chlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(2-chlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 369.81 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-chlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 129380873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).