4-[1-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole

C24H21F2N7O — CID 138690482

IUPAC4-[1-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1cnn(-c2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)c1
InChIInChI=1S/C24H21F2N7O/c1-14-23(15(2)34-30-14)16-11-27-33(13-16)21-12-28-32-9-7-22(29-24(21)32)31-8-3-4-20(31)18-10-17(25)5-6-19(18)26/h5-7,9-13,20H,3-4,8H2,1-2H3/t20-/m1/s1
InChIKeySLWZFZMCROXTBB-HXUWFJFHSA-N
MW461.48 g/mol
LogP4.81
Rot. Bonds4

About 4-[1-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole

4-[1-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 138690482) has the molecular formula C24H21F2N7O and a molecular weight of 461.48 g/mol. Its IUPAC name is 4-[1-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[1-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID138690482
Molecular FormulaC24H21F2N7O
Molecular Weight461.48 g/mol
Exact Mass461.18
IUPAC Name4-[1-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1cnn(-c2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)c1
InChIInChI=1S/C24H21F2N7O/c1-14-23(15(2)34-30-14)16-11-27-33(13-16)21-12-28-32-9-7-22(29-24(21)32)31-8-3-4-20(31)18-10-17(25)5-6-19(18)26/h5-7,9-13,20H,3-4,8H2,1-2H3/t20-/m1/s1
InChIKeySLWZFZMCROXTBB-HXUWFJFHSA-N
XLogP4.81
TPSA77.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.48
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[1-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole (CID 138690482) is 4-[1-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[1-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[1-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1cnn(-c2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)c1.
What is the InChIKey of 4-[1-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is SLWZFZMCROXTBB-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H21F2N7O/c1-14-23(15(2)34-30-14)16-11-27-33(13-16)21-12-28-32-9-7-22(29-24(21)32)31-8-3-4-20(31)18-10-17(25)5-6-19(18)26/h5-7,9-13,20H,3-4,8H2,1-2H3/t20-/m1/s1.
What are the key properties of 4-[1-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole?
4-[1-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 461.48 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 138690482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).