5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H25F2N5O4 — CID 86664577

About 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 86664577) has the molecular formula C23H25F2N5O4 and a molecular weight of 473.48 g/mol. Its IUPAC name is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 86664577
• Molecular Formula: C23H25F2N5O4
• Molecular Weight: 473.48 g/mol
• Exact Mass: 473.19
• IUPAC Name: 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC1(C)OC[C@@H](CONC(=O)c2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)O1
• InChI: InChI=1S/C23H25F2N5O4/c1-23(2)32-12-15(34-23)13-33-28-22(31)17-11-26-30-9-7-20(27-21(17)30)29-8-3-4-19(29)16-10-14(24)5-6-18(16)25/h5-7,9-11,15,19H,3-4,8,12-13H2,1-2H3,(H,28,31)/t15-,19+/m0/s1
• InChIKey: GZYMYGMHLBQHAA-HNAYVOBHSA-N
• XLogP: 3.16
• TPSA: 90.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.48
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 86664577) is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1(C)OC[C@@H](CONC(=O)c2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)O1.

What is the InChIKey of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is GZYMYGMHLBQHAA-HNAYVOBHSA-N. The full InChI is InChI=1S/C23H25F2N5O4/c1-23(2)32-12-15(34-23)13-33-28-22(31)17-11-26-30-9-7-20(27-21(17)30)29-8-3-4-19(29)16-10-14(24)5-6-18(16)25/h5-7,9-11,15,19H,3-4,8,12-13H2,1-2H3,(H,28,31)/t15-,19+/m0/s1.

What are the key properties of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 473.48 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 86664577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).