N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-4-(pyrrolidin-1-ylmethyl)benzamide

C22H20BrN5O2 — CID 44536189

IUPACN-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-4-(pyrrolidin-1-ylmethyl)benzamide
SMILESO=C(Nc1n[nH]c2nc(-c3ccco3)c(Br)cc12)c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C22H20BrN5O2/c23-17-12-16-20(24-19(17)18-4-3-11-30-18)26-27-21(16)25-22(29)15-7-5-14(6-8-15)13-28-9-1-2-10-28/h3-8,11-12H,1-2,9-10,13H2,(H2,24,25,26,27,29)
InChIKeyCSDHJZWWFSQSFE-UHFFFAOYSA-N
MW466.34 g/mol
LogP4.83
Rot. Bonds5

About N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-4-(pyrrolidin-1-ylmethyl)benzamide

N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-4-(pyrrolidin-1-ylmethyl)benzamide (PubChem CID 44536189) has the molecular formula C22H20BrN5O2 and a molecular weight of 466.34 g/mol. Its IUPAC name is N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-4-(pyrrolidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-4-(pyrrolidin-1-ylmethyl)benzamide
PubChem CID44536189
Molecular FormulaC22H20BrN5O2
Molecular Weight466.34 g/mol
Exact Mass465.08
IUPAC NameN-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-4-(pyrrolidin-1-ylmethyl)benzamide
SMILESO=C(Nc1n[nH]c2nc(-c3ccco3)c(Br)cc12)c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C22H20BrN5O2/c23-17-12-16-20(24-19(17)18-4-3-11-30-18)26-27-21(16)25-22(29)15-7-5-14(6-8-15)13-28-9-1-2-10-28/h3-8,11-12H,1-2,9-10,13H2,(H2,24,25,26,27,29)
InChIKeyCSDHJZWWFSQSFE-UHFFFAOYSA-N
XLogP4.83
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 ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 6539611
N-[6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 6539592
1-benzyl-N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrrolidine-3-carboxamide
CID 6539615
2-[(4-Benzoyl-1-piperazinyl)carbonyl]-3-bromo-5-(2-furyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1043228
4-[3-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol
CID 141727069
5-(2-furyl)-8,8-dimethyl-8,9-dihydro-6H-pyrano[4,3-d]pyrazolo[5,4-b]pyridinyla mine
CID 664452
5-(furan-2-yl)-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c]isoquinolin-1-amine
CID 2914037
N-(2-((3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy)ethyl)-3-(furan-2-yl)-1H-pyrazole-5-carboxamide
CID 45501665
N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-4-(pyrrolidin-1-ylmethyl)benzamide;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 44536188
(4-Benzylpiperazin-1-yl)-[3-bromo-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 1043231
CID 1165083
CID 1165083
N-benzyl-3-bromo-5-(5-bromofuran-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1044759

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-4-(pyrrolidin-1-ylmethyl)benzamide?
The IUPAC name of N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-4-(pyrrolidin-1-ylmethyl)benzamide (CID 44536189) is N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-4-(pyrrolidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-4-(pyrrolidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-4-(pyrrolidin-1-ylmethyl)benzamide is O=C(Nc1n[nH]c2nc(-c3ccco3)c(Br)cc12)c1ccc(CN2CCCC2)cc1.
What is the InChIKey of N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-4-(pyrrolidin-1-ylmethyl)benzamide?
The InChIKey is CSDHJZWWFSQSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN5O2/c23-17-12-16-20(24-19(17)18-4-3-11-30-18)26-27-21(16)25-22(29)15-7-5-14(6-8-15)13-28-9-1-2-10-28/h3-8,11-12H,1-2,9-10,13H2,(H2,24,25,26,27,29).
What are the key properties of N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-4-(pyrrolidin-1-ylmethyl)benzamide?
N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-4-(pyrrolidin-1-ylmethyl)benzamide has a molecular weight of 466.34 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-4-(pyrrolidin-1-ylmethyl)benzamide is sourced from PubChem (CID 44536189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).