N-[(2R)-2,3-dihydroxypropyl]-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H24FN5O4 — CID 68913074

About N-[(2R)-2,3-dihydroxypropyl]-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(2R)-2,3-dihydroxypropyl]-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 68913074) has the molecular formula C21H24FN5O4 and a molecular weight of 429.45 g/mol. Its IUPAC name is N-[(2R)-2,3-dihydroxypropyl]-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-2,3-dihydroxypropyl]-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 68913074
• Molecular Formula: C21H24FN5O4
• Molecular Weight: 429.45 g/mol
• Exact Mass: 429.18
• IUPAC Name: N-[(2R)-2,3-dihydroxypropyl]-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: O=C(NC[C@@H](O)CO)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3CO)nc12
• InChI: InChI=1S/C21H24FN5O4/c22-14-4-3-13(11-28)16(8-14)18-2-1-6-26(18)19-5-7-27-20(25-19)17(10-24-27)21(31)23-9-15(30)12-29/h3-5,7-8,10,15,18,28-30H,1-2,6,9,11-12H2,(H,23,31)/t15-,18-/m1/s1
• InChIKey: LJJBCTSKXBRDPV-CRAIPNDOSA-N
• XLogP: 0.79
• TPSA: 123.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.45
LogP ≤ 5	0.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2,3-dihydroxypropyl]-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[(2R)-2,3-dihydroxypropyl]-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 68913074) is N-[(2R)-2,3-dihydroxypropyl]-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[(2R)-2,3-dihydroxypropyl]-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[(2R)-2,3-dihydroxypropyl]-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC[C@@H](O)CO)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3CO)nc12.

What is the InChIKey of N-[(2R)-2,3-dihydroxypropyl]-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is LJJBCTSKXBRDPV-CRAIPNDOSA-N. The full InChI is InChI=1S/C21H24FN5O4/c22-14-4-3-13(11-28)16(8-14)18-2-1-6-26(18)19-5-7-27-20(25-19)17(10-24-27)21(31)23-9-15(30)12-29/h3-5,7-8,10,15,18,28-30H,1-2,6,9,11-12H2,(H,23,31)/t15-,18-/m1/s1.

What are the key properties of N-[(2R)-2,3-dihydroxypropyl]-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[(2R)-2,3-dihydroxypropyl]-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 429.45 g/mol, XLogP of 0.79, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2,3-dihydroxypropyl]-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 68913074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).