N-[1-[7-amino-6-bromo-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2,3-dihydroxypropanamide

C20H18BrFN6O3 — CID 70216259

IUPACN-[1-[7-amino-6-bromo-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2,3-dihydroxypropanamide
SMILESCC(NC(=O)C(O)CO)c1nc2c(-c3cnc4ccc(F)cc4c3)cnn2c(N)c1Br
InChIInChI=1S/C20H18BrFN6O3/c1-9(26-20(31)15(30)8-29)17-16(21)18(23)28-19(27-17)13(7-25-28)11-4-10-5-12(22)2-3-14(10)24-6-11/h2-7,9,15,29-30H,8,23H2,1H3,(H,26,31)
InChIKeyRFEHLPZEASKIJA-UHFFFAOYSA-N
MW489.31 g/mol
LogP1.96
Rot. Bonds5

About N-[1-[7-amino-6-bromo-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2,3-dihydroxypropanamide

N-[1-[7-amino-6-bromo-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2,3-dihydroxypropanamide (PubChem CID 70216259) has the molecular formula C20H18BrFN6O3 and a molecular weight of 489.31 g/mol. Its IUPAC name is N-[1-[7-amino-6-bromo-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2,3-dihydroxypropanamide.

Molecular Properties

Compound NameN-[1-[7-amino-6-bromo-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2,3-dihydroxypropanamide
PubChem CID70216259
Molecular FormulaC20H18BrFN6O3
Molecular Weight489.31 g/mol
Exact Mass488.06
IUPAC NameN-[1-[7-amino-6-bromo-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2,3-dihydroxypropanamide
SMILESCC(NC(=O)C(O)CO)c1nc2c(-c3cnc4ccc(F)cc4c3)cnn2c(N)c1Br
InChIInChI=1S/C20H18BrFN6O3/c1-9(26-20(31)15(30)8-29)17-16(21)18(23)28-19(27-17)13(7-25-28)11-4-10-5-12(22)2-3-14(10)24-6-11/h2-7,9,15,29-30H,8,23H2,1H3,(H,26,31)
InChIKeyRFEHLPZEASKIJA-UHFFFAOYSA-N
XLogP1.96
TPSA138.66 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.31
LogP ≤ 51.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[1-[7-amino-6-bromo-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2,3-dihydroxypropanamide 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 N-[1-[7-amino-6-bromo-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2,3-dihydroxypropanamide?
The IUPAC name of N-[1-[7-amino-6-bromo-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2,3-dihydroxypropanamide (CID 70216259) is N-[1-[7-amino-6-bromo-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2,3-dihydroxypropanamide.
What is the SMILES notation for N-[1-[7-amino-6-bromo-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2,3-dihydroxypropanamide?
The canonical SMILES for N-[1-[7-amino-6-bromo-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2,3-dihydroxypropanamide is CC(NC(=O)C(O)CO)c1nc2c(-c3cnc4ccc(F)cc4c3)cnn2c(N)c1Br.
What is the InChIKey of N-[1-[7-amino-6-bromo-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2,3-dihydroxypropanamide?
The InChIKey is RFEHLPZEASKIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrFN6O3/c1-9(26-20(31)15(30)8-29)17-16(21)18(23)28-19(27-17)13(7-25-28)11-4-10-5-12(22)2-3-14(10)24-6-11/h2-7,9,15,29-30H,8,23H2,1H3,(H,26,31).
What are the key properties of N-[1-[7-amino-6-bromo-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2,3-dihydroxypropanamide?
N-[1-[7-amino-6-bromo-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2,3-dihydroxypropanamide has a molecular weight of 489.31 g/mol, XLogP of 1.96, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[7-amino-6-bromo-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2,3-dihydroxypropanamide is sourced from PubChem (CID 70216259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).