N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-N',N'-dimethyloxamide

C20H20F2N6O2 — CID 58386298

IUPACN-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-N',N'-dimethyloxamide
SMILESCN(C)C(=O)C(=O)Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12
InChIInChI=1S/C20H20F2N6O2/c1-26(2)20(30)19(29)24-15-11-23-28-9-7-17(25-18(15)28)27-8-3-4-16(27)13-10-12(21)5-6-14(13)22/h5-7,9-11,16H,3-4,8H2,1-2H3,(H,24,29)/t16-/m1/s1
InChIKeyASNCBWCDJMZVSE-MRXNPFEDSA-N
MW414.42 g/mol
LogP2.38
Rot. Bonds3

About N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-N',N'-dimethyloxamide

N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-N',N'-dimethyloxamide (PubChem CID 58386298) has the molecular formula C20H20F2N6O2 and a molecular weight of 414.42 g/mol. Its IUPAC name is N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-N',N'-dimethyloxamide.

Molecular Properties

Compound NameN-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-N',N'-dimethyloxamide
PubChem CID58386298
Molecular FormulaC20H20F2N6O2
Molecular Weight414.42 g/mol
Exact Mass414.16
IUPAC NameN-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-N',N'-dimethyloxamide
SMILESCN(C)C(=O)C(=O)Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12
InChIInChI=1S/C20H20F2N6O2/c1-26(2)20(30)19(29)24-15-11-23-28-9-7-17(25-18(15)28)27-8-3-4-16(27)13-10-12(21)5-6-14(13)22/h5-7,9-11,16H,3-4,8H2,1-2H3,(H,24,29)/t16-/m1/s1
InChIKeyASNCBWCDJMZVSE-MRXNPFEDSA-N
XLogP2.38
TPSA82.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-N',N'-dimethyloxamide?
The IUPAC name of N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-N',N'-dimethyloxamide (CID 58386298) is N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-N',N'-dimethyloxamide.
What is the SMILES notation for N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-N',N'-dimethyloxamide?
The canonical SMILES for N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-N',N'-dimethyloxamide is CN(C)C(=O)C(=O)Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12.
What is the InChIKey of N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-N',N'-dimethyloxamide?
The InChIKey is ASNCBWCDJMZVSE-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H20F2N6O2/c1-26(2)20(30)19(29)24-15-11-23-28-9-7-17(25-18(15)28)27-8-3-4-16(27)13-10-12(21)5-6-14(13)22/h5-7,9-11,16H,3-4,8H2,1-2H3,(H,24,29)/t16-/m1/s1.
What are the key properties of N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-N',N'-dimethyloxamide?
N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-N',N'-dimethyloxamide has a molecular weight of 414.42 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-N',N'-dimethyloxamide is sourced from PubChem (CID 58386298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).