5-(furan-2-yl)-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine

C14H14N4O — CID 2914037

IUPAC5-(furan-2-yl)-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine
SMILESNc1[nH]nc2nc(-c3ccco3)c3c(c12)CCCC3
InChIInChI=1S/C14H14N4O/c15-13-11-8-4-1-2-5-9(8)12(10-6-3-7-19-10)16-14(11)18-17-13/h3,6-7H,1-2,4-5H2,(H3,15,16,17,18)
InChIKeyRDLWOYDIEYECFL-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.68
Rot. Bonds1

About 5-(furan-2-yl)-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine

5-(furan-2-yl)-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine (PubChem CID 2914037) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-(furan-2-yl)-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine.

Molecular Properties

Compound Name5-(furan-2-yl)-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine
PubChem CID2914037
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name5-(furan-2-yl)-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine
SMILESNc1[nH]nc2nc(-c3ccco3)c3c(c12)CCCC3
InChIInChI=1S/C14H14N4O/c15-13-11-8-4-1-2-5-9(8)12(10-6-3-7-19-10)16-14(11)18-17-13/h3,6-7H,1-2,4-5H2,(H3,15,16,17,18)
InChIKeyRDLWOYDIEYECFL-UHFFFAOYSA-N
XLogP2.68
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 6539611
6-Amino-N-benzyl-4-(2-furyl)-1H-pyrazolo[3,4-d]pyrimidine-1-carboxamide
CID 22015504
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
3-(Furan-2-yl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine
CID 1243399
4-(Furan-2-yl)-1-[(3-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 9818556
A2A receptor antagonist 1
CID 9879687
4-(Furan-2-yl)-1-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 9901099
4-(Furan-2-yl)-1-(3-phenylpropyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 9944894
1-[(2,6-Difluorophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 9967146
2-Furan-2-yl-7-(4-methoxy-phenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
CID 10125605
3-(5-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-benzonitrile
CID 10171782

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine?
The IUPAC name of 5-(furan-2-yl)-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine (CID 2914037) is 5-(furan-2-yl)-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine.
What is the SMILES notation for 5-(furan-2-yl)-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine?
The canonical SMILES for 5-(furan-2-yl)-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine is Nc1[nH]nc2nc(-c3ccco3)c3c(c12)CCCC3.
What is the InChIKey of 5-(furan-2-yl)-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine?
The InChIKey is RDLWOYDIEYECFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c15-13-11-8-4-1-2-5-9(8)12(10-6-3-7-19-10)16-14(11)18-17-13/h3,6-7H,1-2,4-5H2,(H3,15,16,17,18).
What are the key properties of 5-(furan-2-yl)-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine?
5-(furan-2-yl)-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine has a molecular weight of 254.29 g/mol, XLogP of 2.68, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine is sourced from PubChem (CID 2914037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).