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

C20H21F2N5O3 — CID 67500507

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

5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2R)-2,3-dihydroxypropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67500507) has the molecular formula C20H21F2N5O3 and a molecular weight of 417.42 g/mol. Its IUPAC name is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2R)-2,3-dihydroxypropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2R)-2,3-dihydroxypropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 67500507
• Molecular Formula: C20H21F2N5O3
• Molecular Weight: 417.42 g/mol
• Exact Mass: 417.16
• IUPAC Name: 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2R)-2,3-dihydroxypropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: O=C(NC[C@@H](O)CO)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12
• InChI: InChI=1S/C20H21F2N5O3/c21-12-3-4-16(22)14(8-12)17-2-1-6-26(17)18-5-7-27-19(25-18)15(10-24-27)20(30)23-9-13(29)11-28/h3-5,7-8,10,13,17,28-29H,1-2,6,9,11H2,(H,23,30)/t13-,17-/m1/s1
• InChIKey: GSSDAQWHOJFZRE-CXAGYDPISA-N
• XLogP: 1.43
• TPSA: 102.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.42
LogP ≤ 5	1.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2R)-2,3-dihydroxypropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67500507) is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2R)-2,3-dihydroxypropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2R)-2,3-dihydroxypropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC[C@@H](O)CO)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12.

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

The InChIKey is GSSDAQWHOJFZRE-CXAGYDPISA-N. The full InChI is InChI=1S/C20H21F2N5O3/c21-12-3-4-16(22)14(8-12)17-2-1-6-26(17)18-5-7-27-19(25-18)15(10-24-27)20(30)23-9-13(29)11-28/h3-5,7-8,10,13,17,28-29H,1-2,6,9,11H2,(H,23,30)/t13-,17-/m1/s1.

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

5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2R)-2,3-dihydroxypropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 417.42 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2R)-2,3-dihydroxypropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67500507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).