5-[2-[5-fluoro-2-(propan-2-ylcarbamoyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H23FN6O2 — CID 56944182

IUPAC5-[2-[5-fluoro-2-(propan-2-ylcarbamoyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(F)cc1C1CCCN1c1ccn2ncc(C(N)=O)c2n1
InChIInChI=1S/C21H23FN6O2/c1-12(2)25-21(30)14-6-5-13(22)10-15(14)17-4-3-8-27(17)18-7-9-28-20(26-18)16(11-24-28)19(23)29/h5-7,9-12,17H,3-4,8H2,1-2H3,(H2,23,29)(H,25,30)
InChIKeyXGHVDBDHEAKARC-UHFFFAOYSA-N
MW410.45 g/mol
LogP2.45
Rot. Bonds5

About 5-[2-[5-fluoro-2-(propan-2-ylcarbamoyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[2-[5-fluoro-2-(propan-2-ylcarbamoyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 56944182) has the molecular formula C21H23FN6O2 and a molecular weight of 410.45 g/mol. Its IUPAC name is 5-[2-[5-fluoro-2-(propan-2-ylcarbamoyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[2-[5-fluoro-2-(propan-2-ylcarbamoyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID56944182
Molecular FormulaC21H23FN6O2
Molecular Weight410.45 g/mol
Exact Mass410.19
IUPAC Name5-[2-[5-fluoro-2-(propan-2-ylcarbamoyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(F)cc1C1CCCN1c1ccn2ncc(C(N)=O)c2n1
InChIInChI=1S/C21H23FN6O2/c1-12(2)25-21(30)14-6-5-13(22)10-15(14)17-4-3-8-27(17)18-7-9-28-20(26-18)16(11-24-28)19(23)29/h5-7,9-12,17H,3-4,8H2,1-2H3,(H2,23,29)(H,25,30)
InChIKeyXGHVDBDHEAKARC-UHFFFAOYSA-N
XLogP2.45
TPSA105.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-fluoro-2-(propan-2-ylcarbamoyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[2-[5-fluoro-2-(propan-2-ylcarbamoyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 56944182) is 5-[2-[5-fluoro-2-(propan-2-ylcarbamoyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[2-[5-fluoro-2-(propan-2-ylcarbamoyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[2-[5-fluoro-2-(propan-2-ylcarbamoyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)NC(=O)c1ccc(F)cc1C1CCCN1c1ccn2ncc(C(N)=O)c2n1.
What is the InChIKey of 5-[2-[5-fluoro-2-(propan-2-ylcarbamoyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XGHVDBDHEAKARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O2/c1-12(2)25-21(30)14-6-5-13(22)10-15(14)17-4-3-8-27(17)18-7-9-28-20(26-18)16(11-24-28)19(23)29/h5-7,9-12,17H,3-4,8H2,1-2H3,(H2,23,29)(H,25,30).
What are the key properties of 5-[2-[5-fluoro-2-(propan-2-ylcarbamoyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[2-[5-fluoro-2-(propan-2-ylcarbamoyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-fluoro-2-(propan-2-ylcarbamoyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 56944182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).