6-[2-(3-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline

C20H15FN4 — CID 122590004

IUPAC6-[2-(3-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline
SMILESFc1cccc(-c2nn3c(c2-c2ccc4nccnc4c2)CCC3)c1
InChIInChI=1S/C20H15FN4/c21-15-4-1-3-14(11-15)20-19(18-5-2-10-25(18)24-20)13-6-7-16-17(12-13)23-9-8-22-16/h1,3-4,6-9,11-12H,2,5,10H2
InChIKeyHPQVNYHJCPZTFS-UHFFFAOYSA-N
MW330.37 g/mol
LogP4.25
Rot. Bonds2

About 6-[2-(3-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline

6-[2-(3-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline (PubChem CID 122590004) has the molecular formula C20H15FN4 and a molecular weight of 330.37 g/mol. Its IUPAC name is 6-[2-(3-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline.

Molecular Properties

Compound Name6-[2-(3-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline
PubChem CID122590004
Molecular FormulaC20H15FN4
Molecular Weight330.37 g/mol
Exact Mass330.13
IUPAC Name6-[2-(3-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline
SMILESFc1cccc(-c2nn3c(c2-c2ccc4nccnc4c2)CCC3)c1
InChIInChI=1S/C20H15FN4/c21-15-4-1-3-14(11-15)20-19(18-5-2-10-25(18)24-20)13-6-7-16-17(12-13)23-9-8-22-16/h1,3-4,6-9,11-12H,2,5,10H2
InChIKeyHPQVNYHJCPZTFS-UHFFFAOYSA-N
XLogP4.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline?
The IUPAC name of 6-[2-(3-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline (CID 122590004) is 6-[2-(3-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline.
What is the SMILES notation for 6-[2-(3-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline?
The canonical SMILES for 6-[2-(3-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline is Fc1cccc(-c2nn3c(c2-c2ccc4nccnc4c2)CCC3)c1.
What is the InChIKey of 6-[2-(3-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline?
The InChIKey is HPQVNYHJCPZTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4/c21-15-4-1-3-14(11-15)20-19(18-5-2-10-25(18)24-20)13-6-7-16-17(12-13)23-9-8-22-16/h1,3-4,6-9,11-12H,2,5,10H2.
What are the key properties of 6-[2-(3-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline?
6-[2-(3-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline has a molecular weight of 330.37 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline is sourced from PubChem (CID 122590004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).