7-[2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-(2-methoxyethoxy)quinoxaline

C23H20F2N4O2 — CID 122589970

IUPAC7-[2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-(2-methoxyethoxy)quinoxaline
SMILESCOCCOc1cnc2ccc(-c3c(-c4cc(F)ccc4F)nn4c3CCC4)cc2n1
InChIInChI=1S/C23H20F2N4O2/c1-30-9-10-31-21-13-26-18-7-4-14(11-19(18)27-21)22-20-3-2-8-29(20)28-23(22)16-12-15(24)5-6-17(16)25/h4-7,11-13H,2-3,8-10H2,1H3
InChIKeyNHIXAVPFSHFWOZ-UHFFFAOYSA-N
MW422.44 g/mol
LogP4.41
Rot. Bonds6

About 7-[2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-(2-methoxyethoxy)quinoxaline

7-[2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-(2-methoxyethoxy)quinoxaline (PubChem CID 122589970) has the molecular formula C23H20F2N4O2 and a molecular weight of 422.44 g/mol. Its IUPAC name is 7-[2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-(2-methoxyethoxy)quinoxaline.

Molecular Properties

Compound Name7-[2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-(2-methoxyethoxy)quinoxaline
PubChem CID122589970
Molecular FormulaC23H20F2N4O2
Molecular Weight422.44 g/mol
Exact Mass422.16
IUPAC Name7-[2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-(2-methoxyethoxy)quinoxaline
SMILESCOCCOc1cnc2ccc(-c3c(-c4cc(F)ccc4F)nn4c3CCC4)cc2n1
InChIInChI=1S/C23H20F2N4O2/c1-30-9-10-31-21-13-26-18-7-4-14(11-19(18)27-21)22-20-3-2-8-29(20)28-23(22)16-12-15(24)5-6-17(16)25/h4-7,11-13H,2-3,8-10H2,1H3
InChIKeyNHIXAVPFSHFWOZ-UHFFFAOYSA-N
XLogP4.41
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[7-[2-[6-(difluoromethyl)-2-pyridinyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxalin-2-yl]oxybutan-1-amine
CID 163250580
6-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline
CID 122590020
6-[2-(3-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline
CID 122590004
3-bromo-2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
CID 134364431
6-[2-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1,3-benzothiazole
CID 122589974
7-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline-2-carboxylic acid
CID 69204158
6-[2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole
CID 122590119
7-bromo-2-(2-methoxyethoxy)quinoxaline
CID 66664870
2-[2-(2,4-difluoro-3-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline
CID 122589962
N-[4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]-2-methylbutanamide
CID 129017983
(2-chloro-6-fluoro-3-hydroxyphenyl)-[3-(2-methoxyethoxy)quinoxalin-6-yl]methanone
CID 89478118
7-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-ylquinoxaline
CID 174665552

Frequently Asked Questions

What is the IUPAC name of 7-[2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-(2-methoxyethoxy)quinoxaline?
The IUPAC name of 7-[2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-(2-methoxyethoxy)quinoxaline (CID 122589970) is 7-[2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-(2-methoxyethoxy)quinoxaline.
What is the SMILES notation for 7-[2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-(2-methoxyethoxy)quinoxaline?
The canonical SMILES for 7-[2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-(2-methoxyethoxy)quinoxaline is COCCOc1cnc2ccc(-c3c(-c4cc(F)ccc4F)nn4c3CCC4)cc2n1.
What is the InChIKey of 7-[2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-(2-methoxyethoxy)quinoxaline?
The InChIKey is NHIXAVPFSHFWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O2/c1-30-9-10-31-21-13-26-18-7-4-14(11-19(18)27-21)22-20-3-2-8-29(20)28-23(22)16-12-15(24)5-6-17(16)25/h4-7,11-13H,2-3,8-10H2,1H3.
What are the key properties of 7-[2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-(2-methoxyethoxy)quinoxaline?
7-[2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-(2-methoxyethoxy)quinoxaline has a molecular weight of 422.44 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-(2-methoxyethoxy)quinoxaline is sourced from PubChem (CID 122589970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).