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

C20H15BrN4 — CID 141058354

IUPAC2-bromo-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline
SMILESBrc1cc(-c2c(-c3ccccn3)nn3c2CCC3)c2ccccc2n1
InChIInChI=1S/C20H15BrN4/c21-18-12-14(13-6-1-2-7-15(13)23-18)19-17-9-5-11-25(17)24-20(19)16-8-3-4-10-22-16/h1-4,6-8,10,12H,5,9,11H2
InChIKeyDUQZKTTUQKLJKH-UHFFFAOYSA-N
MW391.27 g/mol
LogP4.87
Rot. Bonds2

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

2-bromo-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline (PubChem CID 141058354) has the molecular formula C20H15BrN4 and a molecular weight of 391.27 g/mol. Its IUPAC name is 2-bromo-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline.

Molecular Properties

Compound Name2-bromo-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline
PubChem CID141058354
Molecular FormulaC20H15BrN4
Molecular Weight391.27 g/mol
Exact Mass390.05
IUPAC Name2-bromo-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline
SMILESBrc1cc(-c2c(-c3ccccn3)nn3c2CCC3)c2ccccc2n1
InChIInChI=1S/C20H15BrN4/c21-18-12-14(13-6-1-2-7-15(13)23-18)19-17-9-5-11-25(17)24-20(19)16-8-3-4-10-22-16/h1-4,6-8,10,12H,5,9,11H2
InChIKeyDUQZKTTUQKLJKH-UHFFFAOYSA-N
XLogP4.87
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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

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Related Compounds

Ly-364947
CID 447966
Dihydropyrrolopyrazole, 7d
CID 9946092
2-Phenyl-2H-pyrazolo[4,3-c]quinoline
CID 11470612
6-bromo-4-(2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline
CID 21992708
4-(1-Phenyl-1H-pyrazol-4-YL)quinoline
CID 3525815
N-(4-(2-(pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl)acetamide
CID 9969336
4-[5-Methyl-3-(6-methyl-pyridin-2-yl)-1H-pyrazol-4-yl]-quinoline
CID 10040459
4-(2-(pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-amine
CID 10131416
4-[3-(6-Bromo-pyridin-2-yl)-1H-pyrazol-4-yl]-quinoline
CID 10150095
4-(1-Benzyl-3-pyridin-2-yl-1H-pyrazol-4-yl)-quinoline
CID 10361281
4-(3-(6-Methylpyridin-2-yl)-1H-pyrazol-4-yl)quinoline
CID 10469233
4-(3-(5-fluoropyridin-2-yl)-1H-pyrazol-4-yl)quinoline
CID 11033585

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline?
The IUPAC name of 2-bromo-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline (CID 141058354) is 2-bromo-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline.
What is the SMILES notation for 2-bromo-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline?
The canonical SMILES for 2-bromo-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline is Brc1cc(-c2c(-c3ccccn3)nn3c2CCC3)c2ccccc2n1.
What is the InChIKey of 2-bromo-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline?
The InChIKey is DUQZKTTUQKLJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN4/c21-18-12-14(13-6-1-2-7-15(13)23-18)19-17-9-5-11-25(17)24-20(19)16-8-3-4-10-22-16/h1-4,6-8,10,12H,5,9,11H2.
What are the key properties of 2-bromo-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline?
2-bromo-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline has a molecular weight of 391.27 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline is sourced from PubChem (CID 141058354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).