6-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole

C24H16F4N6O2 — CID 146660756

IUPAC6-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole
SMILESFc1ccc(F)c([C@H]2CCCN2c2ccn3ncc(-c4nc5cc6c(cc5[nH]4)OC(F)(F)O6)c3n2)c1
InChIInChI=1S/C24H16F4N6O2/c25-12-3-4-15(26)13(8-12)18-2-1-6-33(18)21-5-7-34-23(32-21)14(11-29-34)22-30-16-9-19-20(10-17(16)31-22)36-24(27,28)35-19/h3-5,7-11,18H,1-2,6H2,(H,30,31)/t18-/m1/s1
InChIKeyUDRAPPQXBYYPMK-GOSISDBHSA-N
MW496.42 g/mol
LogP5.21
Rot. Bonds3

About 6-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole

6-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole (PubChem CID 146660756) has the molecular formula C24H16F4N6O2 and a molecular weight of 496.42 g/mol. Its IUPAC name is 6-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole.

Molecular Properties

Compound Name6-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole
PubChem CID146660756
Molecular FormulaC24H16F4N6O2
Molecular Weight496.42 g/mol
Exact Mass496.13
IUPAC Name6-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole
SMILESFc1ccc(F)c([C@H]2CCCN2c2ccn3ncc(-c4nc5cc6c(cc5[nH]4)OC(F)(F)O6)c3n2)c1
InChIInChI=1S/C24H16F4N6O2/c25-12-3-4-15(26)13(8-12)18-2-1-6-33(18)21-5-7-34-23(32-21)14(11-29-34)22-30-16-9-19-20(10-17(16)31-22)36-24(27,28)35-19/h3-5,7-11,18H,1-2,6H2,(H,30,31)/t18-/m1/s1
InChIKeyUDRAPPQXBYYPMK-GOSISDBHSA-N
XLogP5.21
TPSA80.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.42
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole?
The IUPAC name of 6-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole (CID 146660756) is 6-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole.
What is the SMILES notation for 6-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole?
The canonical SMILES for 6-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole is Fc1ccc(F)c([C@H]2CCCN2c2ccn3ncc(-c4nc5cc6c(cc5[nH]4)OC(F)(F)O6)c3n2)c1.
What is the InChIKey of 6-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole?
The InChIKey is UDRAPPQXBYYPMK-GOSISDBHSA-N. The full InChI is InChI=1S/C24H16F4N6O2/c25-12-3-4-15(26)13(8-12)18-2-1-6-33(18)21-5-7-34-23(32-21)14(11-29-34)22-30-16-9-19-20(10-17(16)31-22)36-24(27,28)35-19/h3-5,7-11,18H,1-2,6H2,(H,30,31)/t18-/m1/s1.
What are the key properties of 6-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole?
6-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole has a molecular weight of 496.42 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole is sourced from PubChem (CID 146660756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).