N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethoxy]acetamide

C24H26F2N6O4 — CID 172847674

About N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethoxy]acetamide

N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethoxy]acetamide (PubChem CID 172847674) has the molecular formula C24H26F2N6O4 and a molecular weight of 500.51 g/mol. Its IUPAC name is N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethoxy]acetamide.

Molecular Properties

• Compound Name: N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethoxy]acetamide
• PubChem CID: 172847674
• Molecular Formula: C24H26F2N6O4
• Molecular Weight: 500.51 g/mol
• Exact Mass: 500.20
• IUPAC Name: N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethoxy]acetamide
• SMILES: O=C(COCC(=O)N1CC[C@H](O)C1)Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12
• InChI: InChI=1S/C24H26F2N6O4/c25-15-3-4-18(26)17(10-15)20-2-1-7-31(20)21-6-9-32-24(29-21)19(11-27-32)28-22(34)13-36-14-23(35)30-8-5-16(33)12-30/h3-4,6,9-11,16,20,33H,1-2,5,7-8,12-14H2,(H,28,34)/t16-,20+/m0/s1
• InChIKey: XQLDFHYKEXQJLG-OXJNMPFZSA-N
• XLogP: 1.90
• TPSA: 112.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.51
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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]-2-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethoxy]acetamide?

The IUPAC name of N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethoxy]acetamide (CID 172847674) is N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethoxy]acetamide.

What is the SMILES notation for N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethoxy]acetamide?

The canonical SMILES for N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethoxy]acetamide is O=C(COCC(=O)N1CC[C@H](O)C1)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]-2-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethoxy]acetamide?

The InChIKey is XQLDFHYKEXQJLG-OXJNMPFZSA-N. The full InChI is InChI=1S/C24H26F2N6O4/c25-15-3-4-18(26)17(10-15)20-2-1-7-31(20)21-6-9-32-24(29-21)19(11-27-32)28-22(34)13-36-14-23(35)30-8-5-16(33)12-30/h3-4,6,9-11,16,20,33H,1-2,5,7-8,12-14H2,(H,28,34)/t16-,20+/m0/s1.

What are the key properties of N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethoxy]acetamide?

N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethoxy]acetamide has a molecular weight of 500.51 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 8 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]-2-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethoxy]acetamide is sourced from PubChem (CID 172847674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).