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

C21H16F2N4O — CID 134370039

IUPAC[7-[2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxalin-2-yl]methanol
SMILESOCc1cnc2ccc(-c3c(-c4cc(F)ccc4F)nn4c3CCC4)cc2n1
InChIInChI=1S/C21H16F2N4O/c22-13-4-5-16(23)15(9-13)21-20(19-2-1-7-27(19)26-21)12-3-6-17-18(8-12)25-14(11-28)10-24-17/h3-6,8-10,28H,1-2,7,11H2
InChIKeyASHSXGGXHMQSRJ-UHFFFAOYSA-N
MW378.38 g/mol
LogP3.88
Rot. Bonds3

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

[7-[2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxalin-2-yl]methanol (PubChem CID 134370039) has the molecular formula C21H16F2N4O and a molecular weight of 378.38 g/mol. Its IUPAC name is [7-[2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxalin-2-yl]methanol.

Molecular Properties

Compound Name[7-[2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxalin-2-yl]methanol
PubChem CID134370039
Molecular FormulaC21H16F2N4O
Molecular Weight378.38 g/mol
Exact Mass378.13
IUPAC Name[7-[2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxalin-2-yl]methanol
SMILESOCc1cnc2ccc(-c3c(-c4cc(F)ccc4F)nn4c3CCC4)cc2n1
InChIInChI=1S/C21H16F2N4O/c22-13-4-5-16(23)15(9-13)21-20(19-2-1-7-27(19)26-21)12-3-6-17-18(8-12)25-14(11-28)10-24-17/h3-6,8-10,28H,1-2,7,11H2
InChIKeyASHSXGGXHMQSRJ-UHFFFAOYSA-N
XLogP3.88
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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]quinoxalin-2-yl]methanol?
The IUPAC name of [7-[2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxalin-2-yl]methanol (CID 134370039) is [7-[2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxalin-2-yl]methanol.
What is the SMILES notation for [7-[2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxalin-2-yl]methanol?
The canonical SMILES for [7-[2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxalin-2-yl]methanol is OCc1cnc2ccc(-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]quinoxalin-2-yl]methanol?
The InChIKey is ASHSXGGXHMQSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O/c22-13-4-5-16(23)15(9-13)21-20(19-2-1-7-27(19)26-21)12-3-6-17-18(8-12)25-14(11-28)10-24-17/h3-6,8-10,28H,1-2,7,11H2.
What are the key properties of [7-[2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxalin-2-yl]methanol?
[7-[2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxalin-2-yl]methanol has a molecular weight of 378.38 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 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]quinoxalin-2-yl]methanol is sourced from PubChem (CID 134370039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).