2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-ethylpyrazolo[1,5-a]pyrimidin-3-yl]ethanone;bis(ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate)

C102H109F10N25O8 — CID 159158423

About 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-ethylpyrazolo[1,5-a]pyrimidin-3-yl]ethanone;bis(ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate)

2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-ethylpyrazolo[1,5-a]pyrimidin-3-yl]ethanone;bis(ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate) (PubChem CID 159158423) has the molecular formula C102H109F10N25O8 and a molecular weight of 2003.14 g/mol. Its IUPAC name is 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-ethylpyrazolo[1,5-a]pyrimidin-3-yl]ethanone;bis(ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate).

Molecular Properties

• Compound Name: 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-ethylpyrazolo[1,5-a]pyrimidin-3-yl]ethanone;bis(ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate)
• PubChem CID: 159158423
• Molecular Formula: C102H109F10N25O8
• Molecular Weight: 2003.14 g/mol
• Exact Mass: 2001.87
• IUPAC Name: 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-ethylpyrazolo[1,5-a]pyrimidin-3-yl]ethanone;bis(ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate)
• SMILES: CC(C)(C)ONC(=O)c1c(N)nn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12.CCOC(=O)c1c(C)nn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12.CCOC(=O)c1c(C)nn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12.CCc1nn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc2c1C(C)=O.CN(C)CCNC(=O)c1c(N)nn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12
• InChI: InChI=1S/C21H25F2N7O.C21H24F2N6O2.2C20H20F2N4O2.C20H20F2N4O/c1-28(2)11-8-25-21(31)18-19(24)27-30-10-7-17(26-20(18)30)29-9-3-4-16(29)14-12-13(22)5-6-15(14)23;1-21(2,3)31-27-20(30)17-18(24)26-29-10-8-16(25-19(17)29)28-9-4-5-15(28)13-11-12(22)6-7-14(13)23;2*1-3-28-20(27)18-12(2)24-26-10-8-17(23-19(18)26)25-9-4-5-16(25)14-11-13(21)6-7-15(14)22;1-3-16-19(12(2)27)20-23-18(8-10-26(20)24-16)25-9-4-5-17(25)14-11-13(21)6-7-15(14)22/h5-7,10,12,16H,3-4,8-9,11H2,1-2H3,(H2,24,27)(H,25,31);6-8,10-11,15H,4-5,9H2,1-3H3,(H2,24,26)(H,27,30);2*6-8,10-11,16H,3-5,9H2,1-2H3;6-8,10-11,17H,3-5,9H2,1-2H3/t16-;15-;2*16-;17-/m11111/s1
• InChIKey: KKELSOGPKDAHOT-XGTDDXINSA-N
• XLogP: 17.40
• TPSA: 359.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 22
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2003.14
LogP ≤ 5	17.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-ethylpyrazolo[1,5-a]pyrimidin-3-yl]ethanone;bis(ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate)?

The IUPAC name of 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-ethylpyrazolo[1,5-a]pyrimidin-3-yl]ethanone;bis(ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate) (CID 159158423) is 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-ethylpyrazolo[1,5-a]pyrimidin-3-yl]ethanone;bis(ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate).

What is the SMILES notation for 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-ethylpyrazolo[1,5-a]pyrimidin-3-yl]ethanone;bis(ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate)?

The canonical SMILES for 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-ethylpyrazolo[1,5-a]pyrimidin-3-yl]ethanone;bis(ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate) is CC(C)(C)ONC(=O)c1c(N)nn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12.CCOC(=O)c1c(C)nn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12.CCOC(=O)c1c(C)nn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12.CCc1nn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc2c1C(C)=O.CN(C)CCNC(=O)c1c(N)nn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12.

What is the InChIKey of 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-ethylpyrazolo[1,5-a]pyrimidin-3-yl]ethanone;bis(ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate)?

The InChIKey is KKELSOGPKDAHOT-XGTDDXINSA-N. The full InChI is InChI=1S/C21H25F2N7O.C21H24F2N6O2.2C20H20F2N4O2.C20H20F2N4O/c1-28(2)11-8-25-21(31)18-19(24)27-30-10-7-17(26-20(18)30)29-9-3-4-16(29)14-12-13(22)5-6-15(14)23;1-21(2,3)31-27-20(30)17-18(24)26-29-10-8-16(25-19(17)29)28-9-4-5-15(28)13-11-12(22)6-7-14(13)23;2*1-3-28-20(27)18-12(2)24-26-10-8-17(23-19(18)26)25-9-4-5-16(25)14-11-13(21)6-7-15(14)22;1-3-16-19(12(2)27)20-23-18(8-10-26(20)24-16)25-9-4-5-17(25)14-11-13(21)6-7-15(14)22/h5-7,10,12,16H,3-4,8-9,11H2,1-2H3,(H2,24,27)(H,25,31);6-8,10-11,15H,4-5,9H2,1-3H3,(H2,24,26)(H,27,30);2*6-8,10-11,16H,3-5,9H2,1-2H3;6-8,10-11,17H,3-5,9H2,1-2H3/t16-;15-;2*16-;17-/m11111/s1.

What are the key properties of 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-ethylpyrazolo[1,5-a]pyrimidin-3-yl]ethanone;bis(ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate)?

2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-ethylpyrazolo[1,5-a]pyrimidin-3-yl]ethanone;bis(ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate) has a molecular weight of 2003.14 g/mol, XLogP of 17.40, 22 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-ethylpyrazolo[1,5-a]pyrimidin-3-yl]ethanone;bis(ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate) is sourced from PubChem (CID 159158423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).