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

C38H27F2N9 — CID 145164687

IUPAC6-[2-(2-fluorophenyl)-5-[3-fluoro-4-[3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]phenyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline
SMILESFc1cc(C2Cc3c(-c4ccc5nccnc5c4)c(-c4ccccc4F)nn3C2)ccc1-c1nn2c(c1-c1ccc3ncnn3c1)CCC2
InChIInChI=1S/C38H27F2N9/c39-28-5-2-1-4-26(28)37-35(23-8-11-30-31(17-23)42-14-13-41-30)33-18-25(20-48(33)46-37)22-7-10-27(29(40)16-22)38-36(32-6-3-15-47(32)45-38)24-9-12-34-43-21-44-49(34)19-24/h1-2,4-5,7-14,16-17,19,21,25H,3,6,15,18,20H2
InChIKeyWWBLOWCEWRNMKB-UHFFFAOYSA-N
MW647.69 g/mol
LogP7.30
Rot. Bonds5

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

6-[2-(2-fluorophenyl)-5-[3-fluoro-4-[3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]phenyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline (PubChem CID 145164687) has the molecular formula C38H27F2N9 and a molecular weight of 647.69 g/mol. Its IUPAC name is 6-[2-(2-fluorophenyl)-5-[3-fluoro-4-[3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]phenyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline.

Molecular Properties

Compound Name6-[2-(2-fluorophenyl)-5-[3-fluoro-4-[3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]phenyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline
PubChem CID145164687
Molecular FormulaC38H27F2N9
Molecular Weight647.69 g/mol
Exact Mass647.24
IUPAC Name6-[2-(2-fluorophenyl)-5-[3-fluoro-4-[3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]phenyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline
SMILESFc1cc(C2Cc3c(-c4ccc5nccnc5c4)c(-c4ccccc4F)nn3C2)ccc1-c1nn2c(c1-c1ccc3ncnn3c1)CCC2
InChIInChI=1S/C38H27F2N9/c39-28-5-2-1-4-26(28)37-35(23-8-11-30-31(17-23)42-14-13-41-30)33-18-25(20-48(33)46-37)22-7-10-27(29(40)16-22)38-36(32-6-3-15-47(32)45-38)24-9-12-34-43-21-44-49(34)19-24/h1-2,4-5,7-14,16-17,19,21,25H,3,6,15,18,20H2
InChIKeyWWBLOWCEWRNMKB-UHFFFAOYSA-N
XLogP7.30
TPSA91.61 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.69
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-[2-(2-fluorophenyl)-5-[3-fluoro-4-[3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]phenyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline with MolForge

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Related Compounds

5,7-Difluoro-3-(1-methylpyrazol-4-yl)-6-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 137661996
7-(4-fluorophenyl)-2-((3-fluoropyridin-2-yl) methyl)-8-(1-methyl-1H-benzo[d]imidazol-6-yl)-[1,2, 4]triazolo[l,5-c]pyrimidin-5-amine
CID 146490908
6-[[8-Fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoxaline
CID 118732803
7-Fluoro-3-(4-fluorophenyl)-6-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 137652846
5,7-Difluoro-3-(4-fluorophenyl)-6-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 137659897
6-phenyl-5-{4-[4-(6-trifluoromethyl-1H-benzimidazol-2-yl)piperidin-1-ylmethyl]-phenyl}-pyrazolo[1,5-a]pyrimidine
CID 68754611
7-(4-Fluorophenyl)-2-((3-fluoropyridin-2-yl) methyl)-8-(quinoxalin-6-yl)-[l,2,4]triazolo[l,5-c] pyrimidin-5-amine
CID 146490624
2-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-3,3a,5,6,7,7a,8,8a-octahydro-1H-pyrrolo[3,4-b]pyrrolizine
CID 23548215
7,10-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 58019500
Iridium;1-phenylpyrazole;2-phenylpyrazol-2-ium-1-ide;2-[5-[4-(trifluoromethyl)phenyl]-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 58855107
7-(Trifluoromethyl)-4-[3-[7-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]pyrazolo[1,5-a]benzimidazole
CID 59500324
4-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-pyrazolo[1,5-a]benzimidazol-4-ylphenyl)propan-2-yl]phenyl]pyrazolo[1,5-a]benzimidazole
CID 59500326

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-fluorophenyl)-5-[3-fluoro-4-[3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]phenyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline?
The IUPAC name of 6-[2-(2-fluorophenyl)-5-[3-fluoro-4-[3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]phenyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline (CID 145164687) is 6-[2-(2-fluorophenyl)-5-[3-fluoro-4-[3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]phenyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline.
What is the SMILES notation for 6-[2-(2-fluorophenyl)-5-[3-fluoro-4-[3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]phenyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline?
The canonical SMILES for 6-[2-(2-fluorophenyl)-5-[3-fluoro-4-[3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]phenyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline is Fc1cc(C2Cc3c(-c4ccc5nccnc5c4)c(-c4ccccc4F)nn3C2)ccc1-c1nn2c(c1-c1ccc3ncnn3c1)CCC2.
What is the InChIKey of 6-[2-(2-fluorophenyl)-5-[3-fluoro-4-[3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]phenyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline?
The InChIKey is WWBLOWCEWRNMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27F2N9/c39-28-5-2-1-4-26(28)37-35(23-8-11-30-31(17-23)42-14-13-41-30)33-18-25(20-48(33)46-37)22-7-10-27(29(40)16-22)38-36(32-6-3-15-47(32)45-38)24-9-12-34-43-21-44-49(34)19-24/h1-2,4-5,7-14,16-17,19,21,25H,3,6,15,18,20H2.
What are the key properties of 6-[2-(2-fluorophenyl)-5-[3-fluoro-4-[3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]phenyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline?
6-[2-(2-fluorophenyl)-5-[3-fluoro-4-[3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]phenyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline has a molecular weight of 647.69 g/mol, XLogP of 7.30, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-fluorophenyl)-5-[3-fluoro-4-[3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]phenyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline is sourced from PubChem (CID 145164687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).