4-fluoro-1-(furan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine

C19H12FN5O — CID 134197820

IUPAC4-fluoro-1-(furan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
SMILESFc1cnc(-c2ccco2)c2ccc(Nc3n[nH]c4cccnc34)cc12
InChIInChI=1S/C19H12FN5O/c20-14-10-22-17(16-4-2-8-26-16)12-6-5-11(9-13(12)14)23-19-18-15(24-25-19)3-1-7-21-18/h1-10H,(H2,23,24,25)
InChIKeyGUUVJWHMHOCQKT-UHFFFAOYSA-N
MW345.34 g/mol
LogP4.65
Rot. Bonds3

About 4-fluoro-1-(furan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine

4-fluoro-1-(furan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine (PubChem CID 134197820) has the molecular formula C19H12FN5O and a molecular weight of 345.34 g/mol. Its IUPAC name is 4-fluoro-1-(furan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine.

Molecular Properties

Compound Name4-fluoro-1-(furan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
PubChem CID134197820
Molecular FormulaC19H12FN5O
Molecular Weight345.34 g/mol
Exact Mass345.10
IUPAC Name4-fluoro-1-(furan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
SMILESFc1cnc(-c2ccco2)c2ccc(Nc3n[nH]c4cccnc34)cc12
InChIInChI=1S/C19H12FN5O/c20-14-10-22-17(16-4-2-8-26-16)12-6-5-11(9-13(12)14)23-19-18-15(24-25-19)3-1-7-21-18/h1-10H,(H2,23,24,25)
InChIKeyGUUVJWHMHOCQKT-UHFFFAOYSA-N
XLogP4.65
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.34
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(furan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The IUPAC name of 4-fluoro-1-(furan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine (CID 134197820) is 4-fluoro-1-(furan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine.
What is the SMILES notation for 4-fluoro-1-(furan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The canonical SMILES for 4-fluoro-1-(furan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine is Fc1cnc(-c2ccco2)c2ccc(Nc3n[nH]c4cccnc34)cc12.
What is the InChIKey of 4-fluoro-1-(furan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The InChIKey is GUUVJWHMHOCQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN5O/c20-14-10-22-17(16-4-2-8-26-16)12-6-5-11(9-13(12)14)23-19-18-15(24-25-19)3-1-7-21-18/h1-10H,(H2,23,24,25).
What are the key properties of 4-fluoro-1-(furan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
4-fluoro-1-(furan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine has a molecular weight of 345.34 g/mol, XLogP of 4.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(furan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine is sourced from PubChem (CID 134197820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).