3-methyl-N-[(3R,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide

C19H19N5O2 — CID 95778093

IUPAC3-methyl-N-[(3R,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1[nH]nc2ncc(C(=O)N[C@@H]3C[C@@H](C)N(c4ccccc4)C3=O)cc12
InChIInChI=1S/C19H19N5O2/c1-11-8-16(19(26)24(11)14-6-4-3-5-7-14)21-18(25)13-9-15-12(2)22-23-17(15)20-10-13/h3-7,9-11,16H,8H2,1-2H3,(H,21,25)(H,20,22,23)/t11-,16-/m1/s1
InChIKeyWYTLUMQMRRFSSX-BDJLRTHQSA-N
MW349.39 g/mol
LogP2.19
Rot. Bonds3

About 3-methyl-N-[(3R,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide

3-methyl-N-[(3R,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 95778093) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-methyl-N-[(3R,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(3R,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID95778093
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name3-methyl-N-[(3R,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1[nH]nc2ncc(C(=O)N[C@@H]3C[C@@H](C)N(c4ccccc4)C3=O)cc12
InChIInChI=1S/C19H19N5O2/c1-11-8-16(19(26)24(11)14-6-4-3-5-7-14)21-18(25)13-9-15-12(2)22-23-17(15)20-10-13/h3-7,9-11,16H,8H2,1-2H3,(H,21,25)(H,20,22,23)/t11-,16-/m1/s1
InChIKeyWYTLUMQMRRFSSX-BDJLRTHQSA-N
XLogP2.19
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(3S,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]triazole-4-carboxamide
CID 124873611
3-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 119041844
3-methyl-N-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 119429140
3-methyl-N-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119429139
5-amino-2-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 120636503
N-[(3R,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-5-carboxamide
CID 97091185
N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)imidazo[1,2-a]pyridine-5-carboxamide
CID 71913880
5-methyl-N-[(3R,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 124691466
N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)piperidine-4-carboxamide;hydrochloride
CID 119336511
(2R,4R)-4-hydroxy-N-[(3S,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 125152093
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(3R,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]urea
CID 97002603
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]urea
CID 97002604

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3R,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 3-methyl-N-[(3R,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide (CID 95778093) is 3-methyl-N-[(3R,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[(3R,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 3-methyl-N-[(3R,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide is Cc1[nH]nc2ncc(C(=O)N[C@@H]3C[C@@H](C)N(c4ccccc4)C3=O)cc12.
What is the InChIKey of 3-methyl-N-[(3R,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is WYTLUMQMRRFSSX-BDJLRTHQSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-11-8-16(19(26)24(11)14-6-4-3-5-7-14)21-18(25)13-9-15-12(2)22-23-17(15)20-10-13/h3-7,9-11,16H,8H2,1-2H3,(H,21,25)(H,20,22,23)/t11-,16-/m1/s1.
What are the key properties of 3-methyl-N-[(3R,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
3-methyl-N-[(3R,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3R,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 95778093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).