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

C24H17F2N5O3 — CID 162503184

IUPAC6-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-f][1,3]benzoxazole
SMILESFc1ccc(F)c([C@H]2CCCN2c2ccn3ncc(-c4nc5cc6c(cc5o4)OCO6)c3n2)c1
InChIInChI=1S/C24H17F2N5O3/c25-13-3-4-16(26)14(8-13)18-2-1-6-30(18)22-5-7-31-23(29-22)15(11-27-31)24-28-17-9-20-21(33-12-32-20)10-19(17)34-24/h3-5,7-11,18H,1-2,6,12H2/t18-/m1/s1
InChIKeyKNZIDCBOTWEXKO-GOSISDBHSA-N
MW461.43 g/mol
LogP4.89
Rot. Bonds3

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

6-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-f][1,3]benzoxazole (PubChem CID 162503184) has the molecular formula C24H17F2N5O3 and a molecular weight of 461.43 g/mol. Its IUPAC name is 6-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-f][1,3]benzoxazole.

Molecular Properties

Compound Name6-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-f][1,3]benzoxazole
PubChem CID162503184
Molecular FormulaC24H17F2N5O3
Molecular Weight461.43 g/mol
Exact Mass461.13
IUPAC Name6-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-f][1,3]benzoxazole
SMILESFc1ccc(F)c([C@H]2CCCN2c2ccn3ncc(-c4nc5cc6c(cc5o4)OCO6)c3n2)c1
InChIInChI=1S/C24H17F2N5O3/c25-13-3-4-16(26)14(8-13)18-2-1-6-30(18)22-5-7-31-23(29-22)15(11-27-31)24-28-17-9-20-21(33-12-32-20)10-19(17)34-24/h3-5,7-11,18H,1-2,6,12H2/t18-/m1/s1
InChIKeyKNZIDCBOTWEXKO-GOSISDBHSA-N
XLogP4.89
TPSA77.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.43
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

1-[2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-benzoxazol-6-yl]ethane-1,1-diol
CID 157021517
(2S)-1-[[2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxy-1,3-benzoxazol-5-yl]methyl]pyrrolidine-2-carboxylic acid
CID 156778143
2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-piperidin-4-yl-1,3,4-oxadiazole
CID 121395278
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-ethynylpyrazolo[1,5-a]pyrimidine
CID 121395277
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 121395110
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(5,6-dimethoxy-1H-benzimidazol-2-yl)pyrazolo[1,5-a]pyrimidine
CID 146660757
5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-oxazole;5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(2H-pyrrol-4-yl)pyrazolo[1,5-a]pyrimidine
CID 159091912
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(4-iodopyrazol-1-yl)pyrazolo[1,5-a]pyrimidine
CID 138690076
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[3-(2,3-dihydro-1-benzofuran-6-yl)-1H-1,2,4-triazol-5-yl]pyrazolo[1,5-a]pyrimidine
CID 150117040
(3S)-1-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrolidin-3-ol
CID 121333491
4-[3-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazol-5-yl]cyclohexan-1-ol
CID 156778134
1-[3-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazol-5-yl]-2,2,2-trifluoroethane-1,1-diol
CID 157021541

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]-[1,3]dioxolo[4,5-f][1,3]benzoxazole?
The IUPAC name of 6-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-f][1,3]benzoxazole (CID 162503184) is 6-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-f][1,3]benzoxazole.
What is the SMILES notation for 6-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-f][1,3]benzoxazole?
The canonical SMILES for 6-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-f][1,3]benzoxazole is Fc1ccc(F)c([C@H]2CCCN2c2ccn3ncc(-c4nc5cc6c(cc5o4)OCO6)c3n2)c1.
What is the InChIKey of 6-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-f][1,3]benzoxazole?
The InChIKey is KNZIDCBOTWEXKO-GOSISDBHSA-N. The full InChI is InChI=1S/C24H17F2N5O3/c25-13-3-4-16(26)14(8-13)18-2-1-6-30(18)22-5-7-31-23(29-22)15(11-27-31)24-28-17-9-20-21(33-12-32-20)10-19(17)34-24/h3-5,7-11,18H,1-2,6,12H2/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]-[1,3]dioxolo[4,5-f][1,3]benzoxazole?
6-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-f][1,3]benzoxazole has a molecular weight of 461.43 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 8 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]-[1,3]dioxolo[4,5-f][1,3]benzoxazole is sourced from PubChem (CID 162503184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).