N-(2-pyrrolidin-3-ylethyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide

C17H25N5O2 — CID 119534402

IUPACN-(2-pyrrolidin-3-ylethyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
SMILESCc1nc2c(c(C)c1CC(=O)NCCC1CCNC1)c(=O)[nH]n2C
InChIInChI=1S/C17H25N5O2/c1-10-13(8-14(23)19-7-5-12-4-6-18-9-12)11(2)20-16-15(10)17(24)21-22(16)3/h12,18H,4-9H2,1-3H3,(H,19,23)(H,21,24)
InChIKeySJAXNOLFLQECFD-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.54
Rot. Bonds5

About N-(2-pyrrolidin-3-ylethyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide

N-(2-pyrrolidin-3-ylethyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide (PubChem CID 119534402) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(2-pyrrolidin-3-ylethyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-3-ylethyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
PubChem CID119534402
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC NameN-(2-pyrrolidin-3-ylethyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
SMILESCc1nc2c(c(C)c1CC(=O)NCCC1CCNC1)c(=O)[nH]n2C
InChIInChI=1S/C17H25N5O2/c1-10-13(8-14(23)19-7-5-12-4-6-18-9-12)11(2)20-16-15(10)17(24)21-22(16)3/h12,18H,4-9H2,1-3H3,(H,19,23)(H,21,24)
InChIKeySJAXNOLFLQECFD-UHFFFAOYSA-N
XLogP0.54
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 120945697
N-[2-(3-oxocyclobutyl)ethyl]-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide
CID 166307974
N-(4-aminocyclohexyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 119475374
N-(2-amino-2-methylpropyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 119626783
N-(oxetan-3-yl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 155953615
N-(2-hydroxy-2,3-dimethylbutyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 111484183
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119536142
N-[(3S)-1-ethylpiperidin-3-yl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 95282758
1,4,6-trimethyl-5-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-2H-pyrazolo[3,4-b]pyridin-3-one
CID 95317475
1,4,6-trimethyl-5-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2H-pyrazolo[3,4-b]pyridin-3-one
CID 119649361
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 119525761
1,4,6-trimethyl-5-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-2H-pyrazolo[3,4-b]pyridin-3-one;hydrochloride
CID 119488813

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-3-ylethyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide?
The IUPAC name of N-(2-pyrrolidin-3-ylethyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide (CID 119534402) is N-(2-pyrrolidin-3-ylethyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide.
What is the SMILES notation for N-(2-pyrrolidin-3-ylethyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide?
The canonical SMILES for N-(2-pyrrolidin-3-ylethyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide is Cc1nc2c(c(C)c1CC(=O)NCCC1CCNC1)c(=O)[nH]n2C.
What is the InChIKey of N-(2-pyrrolidin-3-ylethyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide?
The InChIKey is SJAXNOLFLQECFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-10-13(8-14(23)19-7-5-12-4-6-18-9-12)11(2)20-16-15(10)17(24)21-22(16)3/h12,18H,4-9H2,1-3H3,(H,19,23)(H,21,24).
What are the key properties of N-(2-pyrrolidin-3-ylethyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide?
N-(2-pyrrolidin-3-ylethyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide has a molecular weight of 331.42 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-3-ylethyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide is sourced from PubChem (CID 119534402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).