N-[2-[3-[(3R)-1-acetylpyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]-3-cyclopentylpropanamide

C22H31N5O2 — CID 92548871

IUPACN-[2-[3-[(3R)-1-acetylpyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]-3-cyclopentylpropanamide
SMILESCC(=O)N1CC[C@@H](c2nn(CCNC(=O)CCC3CCCC3)c3ncccc23)C1
InChIInChI=1S/C22H31N5O2/c1-16(28)26-13-10-18(15-26)21-19-7-4-11-24-22(19)27(25-21)14-12-23-20(29)9-8-17-5-2-3-6-17/h4,7,11,17-18H,2-3,5-6,8-10,12-15H2,1H3,(H,23,29)/t18-/m1/s1
InChIKeyNKEYSDZLZLYYFL-GOSISDBHSA-N
MW397.52 g/mol
LogP2.85
Rot. Bonds7

About N-[2-[3-[(3R)-1-acetylpyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]-3-cyclopentylpropanamide

N-[2-[3-[(3R)-1-acetylpyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]-3-cyclopentylpropanamide (PubChem CID 92548871) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[2-[3-[(3R)-1-acetylpyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-[2-[3-[(3R)-1-acetylpyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]-3-cyclopentylpropanamide
PubChem CID92548871
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC NameN-[2-[3-[(3R)-1-acetylpyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]-3-cyclopentylpropanamide
SMILESCC(=O)N1CC[C@@H](c2nn(CCNC(=O)CCC3CCCC3)c3ncccc23)C1
InChIInChI=1S/C22H31N5O2/c1-16(28)26-13-10-18(15-26)21-19-7-4-11-24-22(19)27(25-21)14-12-23-20(29)9-8-17-5-2-3-6-17/h4,7,11,17-18H,2-3,5-6,8-10,12-15H2,1H3,(H,23,29)/t18-/m1/s1
InChIKeyNKEYSDZLZLYYFL-GOSISDBHSA-N
XLogP2.85
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-[(3R)-1-acetylpyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclohexanecarboxamide
CID 92548855
3-cyclopentyl-1-[(3S)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]propan-1-one
CID 92606451
N-[2-[3-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 92550481
N-[2-[3-(1-acetylpyrrolidin-3-yl)pyrazolo[3,4-b]pyridin-1-yl]ethyl]-5-methylthiophene-2-carboxamide
CID 110242105
N-[2-[3-[1-(3,3-dimethylbutanoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 110242211
N-[2-[3-[1-(2-methylpropanoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 110242183
N-[2-[3-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 110242203
N-[2-[3-[(3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 92550477
N-[2-[3-[(3R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 92550499
N-[2-[3-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 92550503
1-[(3S)-3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 92551631
3-(3-methoxy-1,2-oxazol-5-yl)-N-[2-[3-[(3R)-1-methylpyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]propanamide
CID 92607910

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(3R)-1-acetylpyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]-3-cyclopentylpropanamide?
The IUPAC name of N-[2-[3-[(3R)-1-acetylpyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]-3-cyclopentylpropanamide (CID 92548871) is N-[2-[3-[(3R)-1-acetylpyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]-3-cyclopentylpropanamide.
What is the SMILES notation for N-[2-[3-[(3R)-1-acetylpyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]-3-cyclopentylpropanamide?
The canonical SMILES for N-[2-[3-[(3R)-1-acetylpyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]-3-cyclopentylpropanamide is CC(=O)N1CC[C@@H](c2nn(CCNC(=O)CCC3CCCC3)c3ncccc23)C1.
What is the InChIKey of N-[2-[3-[(3R)-1-acetylpyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]-3-cyclopentylpropanamide?
The InChIKey is NKEYSDZLZLYYFL-GOSISDBHSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-16(28)26-13-10-18(15-26)21-19-7-4-11-24-22(19)27(25-21)14-12-23-20(29)9-8-17-5-2-3-6-17/h4,7,11,17-18H,2-3,5-6,8-10,12-15H2,1H3,(H,23,29)/t18-/m1/s1.
What are the key properties of N-[2-[3-[(3R)-1-acetylpyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]-3-cyclopentylpropanamide?
N-[2-[3-[(3R)-1-acetylpyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]-3-cyclopentylpropanamide has a molecular weight of 397.52 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(3R)-1-acetylpyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]-3-cyclopentylpropanamide is sourced from PubChem (CID 92548871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).