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

C14H11BrN4O2 — CID 6539611

IUPACN-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1n[nH]c2nc(-c3ccco3)c(Br)cc12)C1CC1
InChIInChI=1S/C14H11BrN4O2/c15-9-6-8-12(16-11(9)10-2-1-5-21-10)18-19-13(8)17-14(20)7-3-4-7/h1-2,5-7H,3-4H2,(H2,16,17,18,19,20)
InChIKeyGVYKLTFFLMMUEN-UHFFFAOYSA-N
MW347.17 g/mol
LogP3.33
Rot. Bonds3

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

N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide (PubChem CID 6539611) has the molecular formula C14H11BrN4O2 and a molecular weight of 347.17 g/mol. Its IUPAC name is N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide
PubChem CID6539611
Molecular FormulaC14H11BrN4O2
Molecular Weight347.17 g/mol
Exact Mass346.01
IUPAC NameN-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1n[nH]c2nc(-c3ccco3)c(Br)cc12)C1CC1
InChIInChI=1S/C14H11BrN4O2/c15-9-6-8-12(16-11(9)10-2-1-5-21-10)18-19-13(8)17-14(20)7-3-4-7/h1-2,5-7H,3-4H2,(H2,16,17,18,19,20)
InChIKeyGVYKLTFFLMMUEN-UHFFFAOYSA-N
XLogP3.33
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
4-(2-Furyl)-1H-pyrazolo[3,4-d]pyrimidine-6-amine
CID 22015500
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-[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
3-bromo-N-tert-butyl-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1036777
N-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)furan-2-carboxamide
CID 49798315
4-(furan-2-yl)-6-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine
CID 155807183
N-(5-Bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-4-(pyrrolidin-1-ylmethyl)benzamide
CID 44536189
N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-4-(pyrrolidin-1-ylmethyl)benzamide;2,3-dihydroxybutanedioic acid
CID 70690626
4-(furan-2-yl)-6-piperidin-1-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine
CID 4577158

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide (CID 6539611) is N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide is O=C(Nc1n[nH]c2nc(-c3ccco3)c(Br)cc12)C1CC1.
What is the InChIKey of N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is GVYKLTFFLMMUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O2/c15-9-6-8-12(16-11(9)10-2-1-5-21-10)18-19-13(8)17-14(20)7-3-4-7/h1-2,5-7H,3-4H2,(H2,16,17,18,19,20).
What are the key properties of N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide?
N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 347.17 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 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]cyclopropanecarboxamide is sourced from PubChem (CID 6539611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).