1-[(2R)-2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one

C20H23N5O — CID 94181805

IUPAC1-[(2R)-2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one
SMILESCc1[nH]nc2ncc(CN[C@@H](CN3CCCC3=O)c3ccccc3)cc12
InChIInChI=1S/C20H23N5O/c1-14-17-10-15(12-22-20(17)24-23-14)11-21-18(16-6-3-2-4-7-16)13-25-9-5-8-19(25)26/h2-4,6-7,10,12,18,21H,5,8-9,11,13H2,1H3,(H,22,23,24)/t18-/m0/s1
InChIKeyUXUHSTLIDIXUQH-SFHVURJKSA-N
MW349.44 g/mol
LogP2.72
Rot. Bonds6

About 1-[(2R)-2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one

1-[(2R)-2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one (PubChem CID 94181805) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-[(2R)-2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2R)-2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one
PubChem CID94181805
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name1-[(2R)-2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one
SMILESCc1[nH]nc2ncc(CN[C@@H](CN3CCCC3=O)c3ccccc3)cc12
InChIInChI=1S/C20H23N5O/c1-14-17-10-15(12-22-20(17)24-23-14)11-21-18(16-6-3-2-4-7-16)13-25-9-5-8-19(25)26/h2-4,6-7,10,12,18,21H,5,8-9,11,13H2,1H3,(H,22,23,24)/t18-/m0/s1
InChIKeyUXUHSTLIDIXUQH-SFHVURJKSA-N
XLogP2.72
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methylamino]pyrazol-1-yl]ethyl]pyrrolidin-2-one
CID 155956444
1-[2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylamino]-2-phenylethyl]pyrrolidin-2-one
CID 119047897
1-[(2S)-2-[(6-methoxynaphthalen-2-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one
CID 94154287
1-[(2R)-2-[(4-bromothiophen-2-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one
CID 94154273
1-[(2R)-2-[(4-chlorothiophen-2-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one
CID 124625426
(1S)-1-(4-bromophenyl)-N-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]ethanamine
CID 166396020
1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea
CID 56519590
1-[2-(1,3-benzodioxol-4-ylmethylamino)-2-phenylethyl]pyrrolidin-2-one;hydrochloride
CID 56809194
1-[(2R)-2-phenyl-2-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]azepan-2-one
CID 52908937
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide
CID 139000569
2-(2,4-dimethylphenoxy)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]acetamide
CID 55749941
2-methyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrimidine-4-carboxamide
CID 94821155

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2R)-2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one (CID 94181805) is 1-[(2R)-2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2R)-2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2R)-2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one is Cc1[nH]nc2ncc(CN[C@@H](CN3CCCC3=O)c3ccccc3)cc12.
What is the InChIKey of 1-[(2R)-2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one?
The InChIKey is UXUHSTLIDIXUQH-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14-17-10-15(12-22-20(17)24-23-14)11-21-18(16-6-3-2-4-7-16)13-25-9-5-8-19(25)26/h2-4,6-7,10,12,18,21H,5,8-9,11,13H2,1H3,(H,22,23,24)/t18-/m0/s1.
What are the key properties of 1-[(2R)-2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one?
1-[(2R)-2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one has a molecular weight of 349.44 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one is sourced from PubChem (CID 94181805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).