(3R)-1-benzyl-N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrrolidine-3-carboxamide

C22H20BrN5O2 — CID 101338283

IUPAC(3R)-1-benzyl-N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1n[nH]c2nc(-c3ccco3)c(Br)cc12)[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C22H20BrN5O2/c23-17-11-16-20(24-19(17)18-7-4-10-30-18)26-27-21(16)25-22(29)15-8-9-28(13-15)12-14-5-2-1-3-6-14/h1-7,10-11,15H,8-9,12-13H2,(H2,24,25,26,27,29)/t15-/m1/s1
InChIKeyHDONVKMMRZKRCC-OAHLLOKOSA-N
MW466.34 g/mol
LogP4.44
Rot. Bonds5

About (3R)-1-benzyl-N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrrolidine-3-carboxamide

(3R)-1-benzyl-N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrrolidine-3-carboxamide (PubChem CID 101338283) has the molecular formula C22H20BrN5O2 and a molecular weight of 466.34 g/mol. Its IUPAC name is (3R)-1-benzyl-N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-benzyl-N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrrolidine-3-carboxamide
PubChem CID101338283
Molecular FormulaC22H20BrN5O2
Molecular Weight466.34 g/mol
Exact Mass465.08
IUPAC Name(3R)-1-benzyl-N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1n[nH]c2nc(-c3ccco3)c(Br)cc12)[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C22H20BrN5O2/c23-17-11-16-20(24-19(17)18-7-4-10-30-18)26-27-21(16)25-22(29)15-8-9-28(13-15)12-14-5-2-1-3-6-14/h1-7,10-11,15H,8-9,12-13H2,(H2,24,25,26,27,29)/t15-/m1/s1
InChIKeyHDONVKMMRZKRCC-OAHLLOKOSA-N
XLogP4.44
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.34
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-(6-phenyl-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrolidine-3-carboxamide
CID 70036441
1-benzyl-N-(5-ethyl-1H-pyrazol-3-yl)piperidine-3-carboxamide
CID 48508171
1-benzyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 43921227
(3R)-1-benzyl-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]piperidine-3-carboxamide
CID 124882392
1-[(3S)-1-benzylpyrrolidin-3-yl]-2-chloroethanone
CID 164769335
1-benzyl-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925060
N-[5-(4-benzylpiperazin-1-yl)-4-(furan-2-yl)-1,3-thiazol-2-yl]acetamide
CID 23144191
1-benzyl-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolidine-3-carboxamide
CID 136545193
(3S)-1-benzyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 93490442
N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 23144406
1-benzyl-N-(4-bromo-2-fluorophenyl)piperidine-3-carboxamide
CID 43925035
(3S)-1-benzyl-N-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 164638213

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-benzyl-N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrrolidine-3-carboxamide (CID 101338283) is (3R)-1-benzyl-N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-benzyl-N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-benzyl-N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrrolidine-3-carboxamide is O=C(Nc1n[nH]c2nc(-c3ccco3)c(Br)cc12)[C@@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of (3R)-1-benzyl-N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrrolidine-3-carboxamide?
The InChIKey is HDONVKMMRZKRCC-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H20BrN5O2/c23-17-11-16-20(24-19(17)18-7-4-10-30-18)26-27-21(16)25-22(29)15-8-9-28(13-15)12-14-5-2-1-3-6-14/h1-7,10-11,15H,8-9,12-13H2,(H2,24,25,26,27,29)/t15-/m1/s1.
What are the key properties of (3R)-1-benzyl-N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrrolidine-3-carboxamide?
(3R)-1-benzyl-N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrrolidine-3-carboxamide has a molecular weight of 466.34 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 101338283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).