7-bromo-2-propan-2-yl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline

C23H21BrN4 — CID 10224794

About 7-bromo-2-propan-2-yl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline

7-bromo-2-propan-2-yl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline (PubChem CID 10224794) has the molecular formula C23H21BrN4 and a molecular weight of 433.35 g/mol. Its IUPAC name is 7-bromo-2-propan-2-yl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline.

Molecular Properties

• Compound Name: 7-bromo-2-propan-2-yl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline
• PubChem CID: 10224794
• Molecular Formula: C23H21BrN4
• Molecular Weight: 433.35 g/mol
• Exact Mass: 432.09
• IUPAC Name: 7-bromo-2-propan-2-yl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline
• SMILES: CC(C)c1cc(-c2c(-c3ccccn3)nn3c2CCC3)c2ccc(Br)cc2n1
• InChI: InChI=1S/C23H21BrN4/c1-14(2)19-13-17(16-9-8-15(24)12-20(16)26-19)22-21-7-5-11-28(21)27-23(22)18-6-3-4-10-25-18/h3-4,6,8-10,12-14H,5,7,11H2,1-2H3
• InChIKey: DHPHPFQVYRNHRD-UHFFFAOYSA-N
• XLogP: 5.99
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.35
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-propan-2-yl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline?

The IUPAC name of 7-bromo-2-propan-2-yl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline (CID 10224794) is 7-bromo-2-propan-2-yl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline.

What is the SMILES notation for 7-bromo-2-propan-2-yl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline?

The canonical SMILES for 7-bromo-2-propan-2-yl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline is CC(C)c1cc(-c2c(-c3ccccn3)nn3c2CCC3)c2ccc(Br)cc2n1.

What is the InChIKey of 7-bromo-2-propan-2-yl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline?

The InChIKey is DHPHPFQVYRNHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN4/c1-14(2)19-13-17(16-9-8-15(24)12-20(16)26-19)22-21-7-5-11-28(21)27-23(22)18-6-3-4-10-25-18/h3-4,6,8-10,12-14H,5,7,11H2,1-2H3.

What are the key properties of 7-bromo-2-propan-2-yl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline?

7-bromo-2-propan-2-yl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline has a molecular weight of 433.35 g/mol, XLogP of 5.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-propan-2-yl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline is sourced from PubChem (CID 10224794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).