1-[7-amino-3-(6-fluoroquinolin-3-yl)-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone

C24H20FN7O2 — CID 70218288

IUPAC1-[7-amino-3-(6-fluoroquinolin-3-yl)-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
SMILESCC(=O)c1c(N2CCc3oc(C)nc3C2)nc2c(-c3cnc4ccc(F)cc4c3)cnn2c1N
InChIInChI=1S/C24H20FN7O2/c1-12(33)21-22(26)32-23(30-24(21)31-6-5-20-19(11-31)29-13(2)34-20)17(10-28-32)15-7-14-8-16(25)3-4-18(14)27-9-15/h3-4,7-10H,5-6,11,26H2,1-2H3
InChIKeyZCXWVRLLMJUGST-UHFFFAOYSA-N
MW457.47 g/mol
LogP3.73
Rot. Bonds3

About 1-[7-amino-3-(6-fluoroquinolin-3-yl)-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone

1-[7-amino-3-(6-fluoroquinolin-3-yl)-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone (PubChem CID 70218288) has the molecular formula C24H20FN7O2 and a molecular weight of 457.47 g/mol. Its IUPAC name is 1-[7-amino-3-(6-fluoroquinolin-3-yl)-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name1-[7-amino-3-(6-fluoroquinolin-3-yl)-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
PubChem CID70218288
Molecular FormulaC24H20FN7O2
Molecular Weight457.47 g/mol
Exact Mass457.17
IUPAC Name1-[7-amino-3-(6-fluoroquinolin-3-yl)-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
SMILESCC(=O)c1c(N2CCc3oc(C)nc3C2)nc2c(-c3cnc4ccc(F)cc4c3)cnn2c1N
InChIInChI=1S/C24H20FN7O2/c1-12(33)21-22(26)32-23(30-24(21)31-6-5-20-19(11-31)29-13(2)34-20)17(10-28-32)15-7-14-8-16(25)3-4-18(14)27-9-15/h3-4,7-10H,5-6,11,26H2,1-2H3
InChIKeyZCXWVRLLMJUGST-UHFFFAOYSA-N
XLogP3.73
TPSA115.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[7-amino-3-(6-fluoroquinolin-3-yl)-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[7-amino-3-(6-fluoroquinolin-3-yl)-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The IUPAC name of 1-[7-amino-3-(6-fluoroquinolin-3-yl)-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone (CID 70218288) is 1-[7-amino-3-(6-fluoroquinolin-3-yl)-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 1-[7-amino-3-(6-fluoroquinolin-3-yl)-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The canonical SMILES for 1-[7-amino-3-(6-fluoroquinolin-3-yl)-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone is CC(=O)c1c(N2CCc3oc(C)nc3C2)nc2c(-c3cnc4ccc(F)cc4c3)cnn2c1N.
What is the InChIKey of 1-[7-amino-3-(6-fluoroquinolin-3-yl)-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The InChIKey is ZCXWVRLLMJUGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN7O2/c1-12(33)21-22(26)32-23(30-24(21)31-6-5-20-19(11-31)29-13(2)34-20)17(10-28-32)15-7-14-8-16(25)3-4-18(14)27-9-15/h3-4,7-10H,5-6,11,26H2,1-2H3.
What are the key properties of 1-[7-amino-3-(6-fluoroquinolin-3-yl)-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
1-[7-amino-3-(6-fluoroquinolin-3-yl)-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone has a molecular weight of 457.47 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-amino-3-(6-fluoroquinolin-3-yl)-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 70218288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).