5-[2-[2-(dimethylcarbamoyl)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H21FN6O2 — CID 56944185

IUPAC5-[2-[2-(dimethylcarbamoyl)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(F)cc1C1CCCN1c1ccn2ncc(C(N)=O)c2n1
InChIInChI=1S/C20H21FN6O2/c1-25(2)20(29)13-6-5-12(21)10-14(13)16-4-3-8-26(16)17-7-9-27-19(24-17)15(11-23-27)18(22)28/h5-7,9-11,16H,3-4,8H2,1-2H3,(H2,22,28)
InChIKeyXTCMGFXSAZPCAA-UHFFFAOYSA-N
MW396.43 g/mol
LogP2.01
Rot. Bonds4

About 5-[2-[2-(dimethylcarbamoyl)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[2-[2-(dimethylcarbamoyl)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 56944185) has the molecular formula C20H21FN6O2 and a molecular weight of 396.43 g/mol. Its IUPAC name is 5-[2-[2-(dimethylcarbamoyl)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[2-[2-(dimethylcarbamoyl)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID56944185
Molecular FormulaC20H21FN6O2
Molecular Weight396.43 g/mol
Exact Mass396.17
IUPAC Name5-[2-[2-(dimethylcarbamoyl)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(F)cc1C1CCCN1c1ccn2ncc(C(N)=O)c2n1
InChIInChI=1S/C20H21FN6O2/c1-25(2)20(29)13-6-5-12(21)10-14(13)16-4-3-8-26(16)17-7-9-27-19(24-17)15(11-23-27)18(22)28/h5-7,9-11,16H,3-4,8H2,1-2H3,(H2,22,28)
InChIKeyXTCMGFXSAZPCAA-UHFFFAOYSA-N
XLogP2.01
TPSA96.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(dimethylcarbamoyl)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[2-[2-(dimethylcarbamoyl)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 56944185) is 5-[2-[2-(dimethylcarbamoyl)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[2-[2-(dimethylcarbamoyl)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[2-[2-(dimethylcarbamoyl)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C)C(=O)c1ccc(F)cc1C1CCCN1c1ccn2ncc(C(N)=O)c2n1.
What is the InChIKey of 5-[2-[2-(dimethylcarbamoyl)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XTCMGFXSAZPCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O2/c1-25(2)20(29)13-6-5-12(21)10-14(13)16-4-3-8-26(16)17-7-9-27-19(24-17)15(11-23-27)18(22)28/h5-7,9-11,16H,3-4,8H2,1-2H3,(H2,22,28).
What are the key properties of 5-[2-[2-(dimethylcarbamoyl)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[2-[2-(dimethylcarbamoyl)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 396.43 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(dimethylcarbamoyl)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 56944185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).