N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-ethyl-4-hydroxyhexanamide

C24H29F2N5O2 — CID 91310481

About N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-ethyl-4-hydroxyhexanamide

N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-ethyl-4-hydroxyhexanamide (PubChem CID 91310481) has the molecular formula C24H29F2N5O2 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-ethyl-4-hydroxyhexanamide.

Molecular Properties

• Compound Name: N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-ethyl-4-hydroxyhexanamide
• PubChem CID: 91310481
• Molecular Formula: C24H29F2N5O2
• Molecular Weight: 457.53 g/mol
• Exact Mass: 457.23
• IUPAC Name: N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-ethyl-4-hydroxyhexanamide
• SMILES: CCC(O)CC(CC)C(=O)Nc1cnn2ccc(N3CCCC3c3cc(F)ccc3F)nc12
• InChI: InChI=1S/C24H29F2N5O2/c1-3-15(12-17(32)4-2)24(33)28-20-14-27-31-11-9-22(29-23(20)31)30-10-5-6-21(30)18-13-16(25)7-8-19(18)26/h7-9,11,13-15,17,21,32H,3-6,10,12H2,1-2H3,(H,28,33)
• InChIKey: NFYIQVXVYKKQGK-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 82.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.53
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-ethyl-4-hydroxyhexanamide?

The IUPAC name of N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-ethyl-4-hydroxyhexanamide (CID 91310481) is N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-ethyl-4-hydroxyhexanamide.

What is the SMILES notation for N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-ethyl-4-hydroxyhexanamide?

The canonical SMILES for N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-ethyl-4-hydroxyhexanamide is CCC(O)CC(CC)C(=O)Nc1cnn2ccc(N3CCCC3c3cc(F)ccc3F)nc12.

What is the InChIKey of N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-ethyl-4-hydroxyhexanamide?

The InChIKey is NFYIQVXVYKKQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N5O2/c1-3-15(12-17(32)4-2)24(33)28-20-14-27-31-11-9-22(29-23(20)31)30-10-5-6-21(30)18-13-16(25)7-8-19(18)26/h7-9,11,13-15,17,21,32H,3-6,10,12H2,1-2H3,(H,28,33).

What are the key properties of N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-ethyl-4-hydroxyhexanamide?

N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-ethyl-4-hydroxyhexanamide has a molecular weight of 457.53 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-ethyl-4-hydroxyhexanamide is sourced from PubChem (CID 91310481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).