(4S)-1-methyl-4-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one

C18H23N5O2 — CID 92566407

IUPAC(4S)-1-methyl-4-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCN1C[C@@H](C(=O)N2CCC(c3nn(C)c4ncccc34)CC2)CC1=O
InChIInChI=1S/C18H23N5O2/c1-21-11-13(10-15(21)24)18(25)23-8-5-12(6-9-23)16-14-4-3-7-19-17(14)22(2)20-16/h3-4,7,12-13H,5-6,8-11H2,1-2H3/t13-/m0/s1
InChIKeyAVQWAYDDILIQHP-ZDUSSCGKSA-N
MW341.42 g/mol
LogP1.15
Rot. Bonds2

About (4S)-1-methyl-4-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one

(4S)-1-methyl-4-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 92566407) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is (4S)-1-methyl-4-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-methyl-4-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID92566407
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name(4S)-1-methyl-4-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCN1C[C@@H](C(=O)N2CCC(c3nn(C)c4ncccc34)CC2)CC1=O
InChIInChI=1S/C18H23N5O2/c1-21-11-13(10-15(21)24)18(25)23-8-5-12(6-9-23)16-14-4-3-7-19-17(14)22(2)20-16/h3-4,7,12-13H,5-6,8-11H2,1-2H3/t13-/m0/s1
InChIKeyAVQWAYDDILIQHP-ZDUSSCGKSA-N
XLogP1.15
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butyl-4-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 171667015
[(1S,2S)-2-methylcyclopropyl]-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 92583314
(4S)-1-methyl-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 97104979
1-methyl-4-[4-(5-methylsulfonyl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 110214414
[(3S)-3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-cyclopentylmethanone
CID 92572077
1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine
CID 66509747
N-[2-[3-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 92550481
N-[2-[3-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 110242203
1-methyl-4-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 110234485
(4S)-1-methyl-4-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95278838
(2R)-2-[[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]amino]-3-methyl-1-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]butan-1-one
CID 95802061
1-(2-methoxyethyl)-4-[4-(3-methylsulfonyl-2-pyridinyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 46954952

Frequently Asked Questions

What is the IUPAC name of (4S)-1-methyl-4-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-methyl-4-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 92566407) is (4S)-1-methyl-4-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-methyl-4-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-methyl-4-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one is CN1C[C@@H](C(=O)N2CCC(c3nn(C)c4ncccc34)CC2)CC1=O.
What is the InChIKey of (4S)-1-methyl-4-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is AVQWAYDDILIQHP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-21-11-13(10-15(21)24)18(25)23-8-5-12(6-9-23)16-14-4-3-7-19-17(14)22(2)20-16/h3-4,7,12-13H,5-6,8-11H2,1-2H3/t13-/m0/s1.
What are the key properties of (4S)-1-methyl-4-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
(4S)-1-methyl-4-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 341.42 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-methyl-4-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 92566407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).