2-[(1S)-1-(7-fluoro-2-pyridin-3-ylquinolin-3-yl)ethyl]-7H-purin-6-amine

C21H16FN7 — CID 140537062

IUPAC2-[(1S)-1-(7-fluoro-2-pyridin-3-ylquinolin-3-yl)ethyl]-7H-purin-6-amine
SMILESC[C@H](c1nc(N)c2[nH]cnc2n1)c1cc2ccc(F)cc2nc1-c1cccnc1
InChIInChI=1S/C21H16FN7/c1-11(20-28-19(23)18-21(29-20)26-10-25-18)15-7-12-4-5-14(22)8-16(12)27-17(15)13-3-2-6-24-9-13/h2-11H,1H3,(H3,23,25,26,28,29)/t11-/m0/s1
InChIKeyVDEZANIYEFVEMV-NSHDSACASA-N
MW385.41 g/mol
LogP3.84
Rot. Bonds3

About 2-[(1S)-1-(7-fluoro-2-pyridin-3-ylquinolin-3-yl)ethyl]-7H-purin-6-amine

2-[(1S)-1-(7-fluoro-2-pyridin-3-ylquinolin-3-yl)ethyl]-7H-purin-6-amine (PubChem CID 140537062) has the molecular formula C21H16FN7 and a molecular weight of 385.41 g/mol. Its IUPAC name is 2-[(1S)-1-(7-fluoro-2-pyridin-3-ylquinolin-3-yl)ethyl]-7H-purin-6-amine.

Molecular Properties

Compound Name2-[(1S)-1-(7-fluoro-2-pyridin-3-ylquinolin-3-yl)ethyl]-7H-purin-6-amine
PubChem CID140537062
Molecular FormulaC21H16FN7
Molecular Weight385.41 g/mol
Exact Mass385.15
IUPAC Name2-[(1S)-1-(7-fluoro-2-pyridin-3-ylquinolin-3-yl)ethyl]-7H-purin-6-amine
SMILESC[C@H](c1nc(N)c2[nH]cnc2n1)c1cc2ccc(F)cc2nc1-c1cccnc1
InChIInChI=1S/C21H16FN7/c1-11(20-28-19(23)18-21(29-20)26-10-25-18)15-7-12-4-5-14(22)8-16(12)27-17(15)13-3-2-6-24-9-13/h2-11H,1H3,(H3,23,25,26,28,29)/t11-/m0/s1
InChIKeyVDEZANIYEFVEMV-NSHDSACASA-N
XLogP3.84
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(1S)-1-(7-fluoro-2-pyridin-3-ylquinolin-3-yl)ethyl]-7H-purin-6-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 2-[(1S)-1-(7-fluoro-2-pyridin-3-ylquinolin-3-yl)ethyl]-7H-purin-6-amine?
The IUPAC name of 2-[(1S)-1-(7-fluoro-2-pyridin-3-ylquinolin-3-yl)ethyl]-7H-purin-6-amine (CID 140537062) is 2-[(1S)-1-(7-fluoro-2-pyridin-3-ylquinolin-3-yl)ethyl]-7H-purin-6-amine.
What is the SMILES notation for 2-[(1S)-1-(7-fluoro-2-pyridin-3-ylquinolin-3-yl)ethyl]-7H-purin-6-amine?
The canonical SMILES for 2-[(1S)-1-(7-fluoro-2-pyridin-3-ylquinolin-3-yl)ethyl]-7H-purin-6-amine is C[C@H](c1nc(N)c2[nH]cnc2n1)c1cc2ccc(F)cc2nc1-c1cccnc1.
What is the InChIKey of 2-[(1S)-1-(7-fluoro-2-pyridin-3-ylquinolin-3-yl)ethyl]-7H-purin-6-amine?
The InChIKey is VDEZANIYEFVEMV-NSHDSACASA-N. The full InChI is InChI=1S/C21H16FN7/c1-11(20-28-19(23)18-21(29-20)26-10-25-18)15-7-12-4-5-14(22)8-16(12)27-17(15)13-3-2-6-24-9-13/h2-11H,1H3,(H3,23,25,26,28,29)/t11-/m0/s1.
What are the key properties of 2-[(1S)-1-(7-fluoro-2-pyridin-3-ylquinolin-3-yl)ethyl]-7H-purin-6-amine?
2-[(1S)-1-(7-fluoro-2-pyridin-3-ylquinolin-3-yl)ethyl]-7H-purin-6-amine has a molecular weight of 385.41 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(7-fluoro-2-pyridin-3-ylquinolin-3-yl)ethyl]-7H-purin-6-amine is sourced from PubChem (CID 140537062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).