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

C24H21N7O2 — CID 70217103

IUPAC1-[7-amino-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone
SMILESCC(=O)c1c(N2CCc3oc(C)nc3C2)nc2c(-c3cnc4ccccc4c3)cnn2c1N
InChIInChI=1S/C24H21N7O2/c1-13(32)21-22(25)31-23(29-24(21)30-8-7-20-19(12-30)28-14(2)33-20)17(11-27-31)16-9-15-5-3-4-6-18(15)26-10-16/h3-6,9-11H,7-8,12,25H2,1-2H3
InChIKeyKNICZUNXNRZIDE-UHFFFAOYSA-N
MW439.48 g/mol
LogP3.59
Rot. Bonds3

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

1-[7-amino-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone (PubChem CID 70217103) has the molecular formula C24H21N7O2 and a molecular weight of 439.48 g/mol. Its IUPAC name is 1-[7-amino-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name1-[7-amino-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone
PubChem CID70217103
Molecular FormulaC24H21N7O2
Molecular Weight439.48 g/mol
Exact Mass439.18
IUPAC Name1-[7-amino-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone
SMILESCC(=O)c1c(N2CCc3oc(C)nc3C2)nc2c(-c3cnc4ccccc4c3)cnn2c1N
InChIInChI=1S/C24H21N7O2/c1-13(32)21-22(25)31-23(29-24(21)30-8-7-20-19(12-30)28-14(2)33-20)17(11-27-31)16-9-15-5-3-4-6-18(15)26-10-16/h3-6,9-11H,7-8,12,25H2,1-2H3
InChIKeyKNICZUNXNRZIDE-UHFFFAOYSA-N
XLogP3.59
TPSA115.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[7-amino-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-quinolin-3-ylpyrazolo[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-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The IUPAC name of 1-[7-amino-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone (CID 70217103) is 1-[7-amino-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 1-[7-amino-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The canonical SMILES for 1-[7-amino-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone is CC(=O)c1c(N2CCc3oc(C)nc3C2)nc2c(-c3cnc4ccccc4c3)cnn2c1N.
What is the InChIKey of 1-[7-amino-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The InChIKey is KNICZUNXNRZIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O2/c1-13(32)21-22(25)31-23(29-24(21)30-8-7-20-19(12-30)28-14(2)33-20)17(11-27-31)16-9-15-5-3-4-6-18(15)26-10-16/h3-6,9-11H,7-8,12,25H2,1-2H3.
What are the key properties of 1-[7-amino-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
1-[7-amino-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone has a molecular weight of 439.48 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-amino-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 70217103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).