4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one

C19H21N5O2 — CID 120749362

IUPAC4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one
SMILESCc1cc(C(=O)N2C[C@@H](N)[C@H](c3ccccc3)C2)c2c(=O)[nH]n(C)c2n1
InChIInChI=1S/C19H21N5O2/c1-11-8-13(16-17(21-11)23(2)22-18(16)25)19(26)24-9-14(15(20)10-24)12-6-4-3-5-7-12/h3-8,14-15H,9-10,20H2,1-2H3,(H,22,25)/t14-,15+/m0/s1
InChIKeyDSITVCWKWOYELO-LSDHHAIUSA-N
MW351.41 g/mol
LogP1.14
Rot. Bonds2

About 4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one

4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one (PubChem CID 120749362) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one
PubChem CID120749362
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one
SMILESCc1cc(C(=O)N2C[C@@H](N)[C@H](c3ccccc3)C2)c2c(=O)[nH]n(C)c2n1
InChIInChI=1S/C19H21N5O2/c1-11-8-13(16-17(21-11)23(2)22-18(16)25)19(26)24-9-14(15(20)10-24)12-6-4-3-5-7-12/h3-8,14-15H,9-10,20H2,1-2H3,(H,22,25)/t14-,15+/m0/s1
InChIKeyDSITVCWKWOYELO-LSDHHAIUSA-N
XLogP1.14
TPSA97.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one 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

5-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-1,4,6-trimethyl-2H-pyrazolo[3,4-b]pyridin-3-one;hydrochloride
CID 120747319
5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 120750022
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 120746552
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 120749868
3-[(3R,4S)-3-amino-4-phenylpyrrolidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 72857453
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone;dihydrochloride
CID 120746588
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone;dihydrochloride
CID 120747193
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 120747184
3-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one;hydrochloride
CID 120748597
N-(3-hydroxy-3-phenylpropyl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 111471664
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2-methylsulfonylphenyl)methanone
CID 120747550
5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-3-bromo-1H-pyridin-2-one
CID 120748398

Frequently Asked Questions

What is the IUPAC name of 4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one (CID 120749362) is 4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for 4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one is Cc1cc(C(=O)N2C[C@@H](N)[C@H](c3ccccc3)C2)c2c(=O)[nH]n(C)c2n1.
What is the InChIKey of 4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one?
The InChIKey is DSITVCWKWOYELO-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-11-8-13(16-17(21-11)23(2)22-18(16)25)19(26)24-9-14(15(20)10-24)12-6-4-3-5-7-12/h3-8,14-15H,9-10,20H2,1-2H3,(H,22,25)/t14-,15+/m0/s1.
What are the key properties of 4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one?
4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one has a molecular weight of 351.41 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 120749362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).