1-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanethione;1-[2-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazol-4-yl]ethanone;[2-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazol-4-yl]-[(3S)-3-methylpyrrolidin-1-yl]methanone;3-bromo-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine;5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methyl-3-(3-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine

C109H104BrF10N27O2S3 — CID 160905524

About 1-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanethione;1-[2-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazol-4-yl]ethanone;[2-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazol-4-yl]-[(3S)-3-methylpyrrolidin-1-yl]methanone;3-bromo-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine;5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methyl-3-(3-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine

1-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanethione;1-[2-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazol-4-yl]ethanone;[2-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazol-4-yl]-[(3S)-3-methylpyrrolidin-1-yl]methanone;3-bromo-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine;5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methyl-3-(3-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 160905524) has the molecular formula C109H104BrF10N27O2S3 and a molecular weight of 2190.30 g/mol. Its IUPAC name is 1-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanethione;1-[2-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazol-4-yl]ethanone;[2-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazol-4-yl]-[(3S)-3-methylpyrrolidin-1-yl]methanone;3-bromo-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine;5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methyl-3-(3-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

• Compound Name: 1-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanethione;1-[2-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazol-4-yl]ethanone;[2-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazol-4-yl]-[(3S)-3-methylpyrrolidin-1-yl]methanone;3-bromo-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine;5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methyl-3-(3-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine
• PubChem CID: 160905524
• Molecular Formula: C109H104BrF10N27O2S3
• Molecular Weight: 2190.30 g/mol
• Exact Mass: 2187.71
• IUPAC Name: 1-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanethione;1-[2-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazol-4-yl]ethanone;[2-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazol-4-yl]-[(3S)-3-methylpyrrolidin-1-yl]methanone;3-bromo-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine;5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methyl-3-(3-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine
• SMILES: CC(=O)c1csc(-c2c(N)nn3ccc(N4CCCC4c4cc(F)ccc4F)nc23)n1.CC(=S)c1c(N)nn2ccc(N3CCCC3c3cc(F)ccc3F)nc12.C[C@H]1CCN(C(=O)c2csc(-c3c(N)nn4ccc(N5CCCC5c5cc(F)ccc5F)nc34)n2)C1.Cc1nn2ccc(N3CCCC3c3cc(F)ccc3F)nc2c1-c1cccc(N2CCCCC2)c1.Cc1nn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc2c1Br
• InChI: InChI=1S/C28H29F2N5.C25H25F2N7OS.C21H18F2N6OS.C18H17F2N5S.C17H15BrF2N4/c1-19-27(20-7-5-8-22(17-20)33-13-3-2-4-14-33)28-31-26(12-16-35(28)32-19)34-15-6-9-25(34)23-18-21(29)10-11-24(23)30;1-14-6-9-32(12-14)25(35)18-13-36-24(29-18)21-22(28)31-34-10-7-20(30-23(21)34)33-8-2-3-19(33)16-11-15(26)4-5-17(16)27;1-11(30)15-10-31-21(25-15)18-19(24)27-29-8-6-17(26-20(18)29)28-7-2-3-16(28)13-9-12(22)4-5-14(13)23;1-10(26)16-17(21)23-25-8-6-15(22-18(16)25)24-7-2-3-14(24)12-9-11(19)4-5-13(12)20;1-10-16(18)17-21-15(6-8-24(17)22-10)23-7-2-3-14(23)12-9-11(19)4-5-13(12)20/h5,7-8,10-12,16-18,25H,2-4,6,9,13-15H2,1H3;4-5,7,10-11,13-14,19H,2-3,6,8-9,12H2,1H3,(H2,28,31);4-6,8-10,16H,2-3,7H2,1H3,(H2,24,27);4-6,8-9,14H,2-3,7H2,1H3,(H2,21,23);4-6,8-9,14H,2-3,7H2,1H3/t;14-,19?;;;14-/m.0..1/s1
• InChIKey: SQBZQCICHQJOQZ-IONBGPSNSA-N
• XLogP: 23.20
• TPSA: 311.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 31
• Rotatable Bonds: 17
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2190.30
LogP ≤ 5	23.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanethione;1-[2-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazol-4-yl]ethanone;[2-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazol-4-yl]-[(3S)-3-methylpyrrolidin-1-yl]methanone;3-bromo-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine;5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methyl-3-(3-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine?

The IUPAC name of 1-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanethione;1-[2-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazol-4-yl]ethanone;[2-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazol-4-yl]-[(3S)-3-methylpyrrolidin-1-yl]methanone;3-bromo-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine;5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methyl-3-(3-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine (CID 160905524) is 1-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanethione;1-[2-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazol-4-yl]ethanone;[2-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazol-4-yl]-[(3S)-3-methylpyrrolidin-1-yl]methanone;3-bromo-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine;5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methyl-3-(3-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine.

What is the SMILES notation for 1-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanethione;1-[2-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazol-4-yl]ethanone;[2-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazol-4-yl]-[(3S)-3-methylpyrrolidin-1-yl]methanone;3-bromo-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine;5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methyl-3-(3-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine?

The canonical SMILES for 1-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanethione;1-[2-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazol-4-yl]ethanone;[2-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazol-4-yl]-[(3S)-3-methylpyrrolidin-1-yl]methanone;3-bromo-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine;5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methyl-3-(3-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine is CC(=O)c1csc(-c2c(N)nn3ccc(N4CCCC4c4cc(F)ccc4F)nc23)n1.CC(=S)c1c(N)nn2ccc(N3CCCC3c3cc(F)ccc3F)nc12.C[C@H]1CCN(C(=O)c2csc(-c3c(N)nn4ccc(N5CCCC5c5cc(F)ccc5F)nc34)n2)C1.Cc1nn2ccc(N3CCCC3c3cc(F)ccc3F)nc2c1-c1cccc(N2CCCCC2)c1.Cc1nn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc2c1Br.

What is the InChIKey of 1-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanethione;1-[2-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazol-4-yl]ethanone;[2-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazol-4-yl]-[(3S)-3-methylpyrrolidin-1-yl]methanone;3-bromo-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine;5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methyl-3-(3-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine?

The InChIKey is SQBZQCICHQJOQZ-IONBGPSNSA-N. The full InChI is InChI=1S/C28H29F2N5.C25H25F2N7OS.C21H18F2N6OS.C18H17F2N5S.C17H15BrF2N4/c1-19-27(20-7-5-8-22(17-20)33-13-3-2-4-14-33)28-31-26(12-16-35(28)32-19)34-15-6-9-25(34)23-18-21(29)10-11-24(23)30;1-14-6-9-32(12-14)25(35)18-13-36-24(29-18)21-22(28)31-34-10-7-20(30-23(21)34)33-8-2-3-19(33)16-11-15(26)4-5-17(16)27;1-11(30)15-10-31-21(25-15)18-19(24)27-29-8-6-17(26-20(18)29)28-7-2-3-16(28)13-9-12(22)4-5-14(13)23;1-10(26)16-17(21)23-25-8-6-15(22-18(16)25)24-7-2-3-14(24)12-9-11(19)4-5-13(12)20;1-10-16(18)17-21-15(6-8-24(17)22-10)23-7-2-3-14(23)12-9-11(19)4-5-13(12)20/h5,7-8,10-12,16-18,25H,2-4,6,9,13-15H2,1H3;4-5,7,10-11,13-14,19H,2-3,6,8-9,12H2,1H3,(H2,28,31);4-6,8-10,16H,2-3,7H2,1H3,(H2,24,27);4-6,8-9,14H,2-3,7H2,1H3,(H2,21,23);4-6,8-9,14H,2-3,7H2,1H3/t;14-,19?;;;14-/m.0..1/s1.

What are the key properties of 1-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanethione;1-[2-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazol-4-yl]ethanone;[2-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazol-4-yl]-[(3S)-3-methylpyrrolidin-1-yl]methanone;3-bromo-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine;5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methyl-3-(3-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine?

1-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanethione;1-[2-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazol-4-yl]ethanone;[2-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazol-4-yl]-[(3S)-3-methylpyrrolidin-1-yl]methanone;3-bromo-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine;5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methyl-3-(3-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 2190.30 g/mol, XLogP of 23.20, 17 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanethione;1-[2-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazol-4-yl]ethanone;[2-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazol-4-yl]-[(3S)-3-methylpyrrolidin-1-yl]methanone;3-bromo-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine;5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methyl-3-(3-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 160905524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).