1-[3-(6,7-dimethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-1-yl]ethanone

C23H23N5O — CID 91528092

About 1-[3-(6,7-dimethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-1-yl]ethanone

1-[3-(6,7-dimethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-1-yl]ethanone (PubChem CID 91528092) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-[3-(6,7-dimethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[3-(6,7-dimethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-1-yl]ethanone
• PubChem CID: 91528092
• Molecular Formula: C23H23N5O
• Molecular Weight: 385.47 g/mol
• Exact Mass: 385.19
• IUPAC Name: 1-[3-(6,7-dimethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-1-yl]ethanone
• SMILES: CC(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(C)c2C)C1
• InChI: InChI=1S/C23H23N5O/c1-14-15(2)28-23(26-22(14)18-8-9-27(13-18)16(3)29)20(12-25-28)19-10-17-6-4-5-7-21(17)24-11-19/h4-7,10-12,18H,8-9,13H2,1-3H3
• InChIKey: BHTIMFNSOAQWCK-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 63.39 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.47
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6,7-dimethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-1-yl]ethanone?

The IUPAC name of 1-[3-(6,7-dimethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-1-yl]ethanone (CID 91528092) is 1-[3-(6,7-dimethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-1-yl]ethanone.

What is the SMILES notation for 1-[3-(6,7-dimethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-1-yl]ethanone?

The canonical SMILES for 1-[3-(6,7-dimethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-1-yl]ethanone is CC(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(C)c2C)C1.

What is the InChIKey of 1-[3-(6,7-dimethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-1-yl]ethanone?

The InChIKey is BHTIMFNSOAQWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-14-15(2)28-23(26-22(14)18-8-9-27(13-18)16(3)29)20(12-25-28)19-10-17-6-4-5-7-21(17)24-11-19/h4-7,10-12,18H,8-9,13H2,1-3H3.

What are the key properties of 1-[3-(6,7-dimethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-1-yl]ethanone?

1-[3-(6,7-dimethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 385.47 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(6,7-dimethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 91528092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).