3-[8-fluoro-5-(furan-2-yl)isoquinolin-3-yl]-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine

C26H23FN6O — CID 68786644

IUPAC3-[8-fluoro-5-(furan-2-yl)isoquinolin-3-yl]-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cn[nH]c2C2CCNCC2)cc1-c1cc2c(-c3ccco3)ccc(F)c2cn1
InChIInChI=1S/C26H23FN6O/c27-22-4-3-17(24-2-1-9-34-24)18-11-23(30-13-21(18)22)19-10-16(12-31-26(19)28)20-14-32-33-25(20)15-5-7-29-8-6-15/h1-4,9-15,29H,5-8H2,(H2,28,31)(H,32,33)
InChIKeyVDRQJDHGMVICHP-UHFFFAOYSA-N
MW454.51 g/mol
LogP5.14
Rot. Bonds4

About 3-[8-fluoro-5-(furan-2-yl)isoquinolin-3-yl]-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine

3-[8-fluoro-5-(furan-2-yl)isoquinolin-3-yl]-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine (PubChem CID 68786644) has the molecular formula C26H23FN6O and a molecular weight of 454.51 g/mol. Its IUPAC name is 3-[8-fluoro-5-(furan-2-yl)isoquinolin-3-yl]-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[8-fluoro-5-(furan-2-yl)isoquinolin-3-yl]-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine
PubChem CID68786644
Molecular FormulaC26H23FN6O
Molecular Weight454.51 g/mol
Exact Mass454.19
IUPAC Name3-[8-fluoro-5-(furan-2-yl)isoquinolin-3-yl]-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cn[nH]c2C2CCNCC2)cc1-c1cc2c(-c3ccco3)ccc(F)c2cn1
InChIInChI=1S/C26H23FN6O/c27-22-4-3-17(24-2-1-9-34-24)18-11-23(30-13-21(18)22)19-10-16(12-31-26(19)28)20-14-32-33-25(20)15-5-7-29-8-6-15/h1-4,9-15,29H,5-8H2,(H2,28,31)(H,32,33)
InChIKeyVDRQJDHGMVICHP-UHFFFAOYSA-N
XLogP5.14
TPSA105.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.51
LogP ≤ 55.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[8-fluoro-5-(furan-2-yl)isoquinolin-3-yl]-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[8-fluoro-5-(furan-2-yl)isoquinolin-3-yl]-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-[8-fluoro-5-(furan-2-yl)isoquinolin-3-yl]-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine (CID 68786644) is 3-[8-fluoro-5-(furan-2-yl)isoquinolin-3-yl]-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-[8-fluoro-5-(furan-2-yl)isoquinolin-3-yl]-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-[8-fluoro-5-(furan-2-yl)isoquinolin-3-yl]-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine is Nc1ncc(-c2cn[nH]c2C2CCNCC2)cc1-c1cc2c(-c3ccco3)ccc(F)c2cn1.
What is the InChIKey of 3-[8-fluoro-5-(furan-2-yl)isoquinolin-3-yl]-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine?
The InChIKey is VDRQJDHGMVICHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O/c27-22-4-3-17(24-2-1-9-34-24)18-11-23(30-13-21(18)22)19-10-16(12-31-26(19)28)20-14-32-33-25(20)15-5-7-29-8-6-15/h1-4,9-15,29H,5-8H2,(H2,28,31)(H,32,33).
What are the key properties of 3-[8-fluoro-5-(furan-2-yl)isoquinolin-3-yl]-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine?
3-[8-fluoro-5-(furan-2-yl)isoquinolin-3-yl]-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine has a molecular weight of 454.51 g/mol, XLogP of 5.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-fluoro-5-(furan-2-yl)isoquinolin-3-yl]-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 68786644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).