2-amino-1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxamide;6-bromo-5-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-phenylpyrrol-3-yl)-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methyl 4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate

C114H116Br5N35O9S2 — CID 157487016

About 2-amino-1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxamide;6-bromo-5-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-phenylpyrrol-3-yl)-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methyl 4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate

2-amino-1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxamide;6-bromo-5-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-phenylpyrrol-3-yl)-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methyl 4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate (PubChem CID 157487016) has the molecular formula C114H116Br5N35O9S2 and a molecular weight of 2584.07 g/mol. Its IUPAC name is 2-amino-1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxamide;6-bromo-5-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-phenylpyrrol-3-yl)-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methyl 4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: 2-amino-1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxamide;6-bromo-5-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-phenylpyrrol-3-yl)-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methyl 4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
• PubChem CID: 157487016
• Molecular Formula: C114H116Br5N35O9S2
• Molecular Weight: 2584.07 g/mol
• Exact Mass: 2577.51
• IUPAC Name: 2-amino-1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxamide;6-bromo-5-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-phenylpyrrol-3-yl)-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methyl 4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
• SMILES: COC(=O)N1CCC(c2nc3c(-c4ccn(-c5ccccc5)c4)cnn3c(N)c2Br)CC1.COCCS(=O)(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.NC(=O)N1CCC(c2nc3c(-c4ccn(-c5ccccc5)c4)cnn3c(N)c2Br)CC1.NCC(=O)N1CCC(c2nc3c(-c4ccn(-c5ccccc5)c4)cnn3c(N)c2Br)CC1.Nc1c(Br)c(C2CCN(S(=O)(=O)c3ncn[nH]3)CC2)nc2c(-c3ccn(-c4ccccc4)c3)cnn12
• InChI: InChI=1S/C23H22BrN9O2S.C23H24BrN7O.C23H25BrN6O3S.C23H23BrN6O2.C22H22BrN7O/c24-19-20(15-7-10-32(11-8-15)36(34,35)23-26-14-27-30-23)29-22-18(12-28-33(22)21(19)25)16-6-9-31(13-16)17-4-2-1-3-5-17;24-20-21(15-6-9-29(10-7-15)19(32)12-25)28-23-18(13-27-31(23)22(20)26)16-8-11-30(14-16)17-4-2-1-3-5-17;1-33-10-11-34(31,32)29-8-6-15(7-9-29)21-20(24)22(25)30-23(28-21)18(14-27-30)17-12-16-4-2-3-5-19(16)26-13-17;1-32-23(31)28-10-7-15(8-11-28)20-19(24)21(25)30-22(27-20)18(13-26-30)16-9-12-29(14-16)17-5-3-2-4-6-17;23-18-19(14-6-9-28(10-7-14)22(25)31)27-21-17(12-26-30(21)20(18)24)15-8-11-29(13-15)16-4-2-1-3-5-16/h1-6,9,12-15H,7-8,10-11,25H2,(H,26,27,30);1-5,8,11,13-15H,6-7,9-10,12,25-26H2;2-5,12-15H,6-11,25H2,1H3;2-6,9,12-15H,7-8,10-11,25H2,1H3;1-5,8,11-14H,6-7,9-10,24H2,(H2,25,31)
• InChIKey: BWVLQRRANTVMPJ-UHFFFAOYSA-N
• XLogP: 18.13
• TPSA: 561.42 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 21
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2584.07
LogP ≤ 5	18.13
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxamide;6-bromo-5-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-phenylpyrrol-3-yl)-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methyl 4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate?

The IUPAC name of 2-amino-1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxamide;6-bromo-5-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-phenylpyrrol-3-yl)-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methyl 4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate (CID 157487016) is 2-amino-1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxamide;6-bromo-5-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-phenylpyrrol-3-yl)-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methyl 4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate.

What is the SMILES notation for 2-amino-1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxamide;6-bromo-5-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-phenylpyrrol-3-yl)-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methyl 4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate?

The canonical SMILES for 2-amino-1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxamide;6-bromo-5-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-phenylpyrrol-3-yl)-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methyl 4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate is COC(=O)N1CCC(c2nc3c(-c4ccn(-c5ccccc5)c4)cnn3c(N)c2Br)CC1.COCCS(=O)(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.NC(=O)N1CCC(c2nc3c(-c4ccn(-c5ccccc5)c4)cnn3c(N)c2Br)CC1.NCC(=O)N1CCC(c2nc3c(-c4ccn(-c5ccccc5)c4)cnn3c(N)c2Br)CC1.Nc1c(Br)c(C2CCN(S(=O)(=O)c3ncn[nH]3)CC2)nc2c(-c3ccn(-c4ccccc4)c3)cnn12.

What is the InChIKey of 2-amino-1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxamide;6-bromo-5-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-phenylpyrrol-3-yl)-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methyl 4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate?

The InChIKey is BWVLQRRANTVMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrN9O2S.C23H24BrN7O.C23H25BrN6O3S.C23H23BrN6O2.C22H22BrN7O/c24-19-20(15-7-10-32(11-8-15)36(34,35)23-26-14-27-30-23)29-22-18(12-28-33(22)21(19)25)16-6-9-31(13-16)17-4-2-1-3-5-17;24-20-21(15-6-9-29(10-7-15)19(32)12-25)28-23-18(13-27-31(23)22(20)26)16-8-11-30(14-16)17-4-2-1-3-5-17;1-33-10-11-34(31,32)29-8-6-15(7-9-29)21-20(24)22(25)30-23(28-21)18(14-27-30)17-12-16-4-2-3-5-19(16)26-13-17;1-32-23(31)28-10-7-15(8-11-28)20-19(24)21(25)30-22(27-20)18(13-26-30)16-9-12-29(14-16)17-5-3-2-4-6-17;23-18-19(14-6-9-28(10-7-14)22(25)31)27-21-17(12-26-30(21)20(18)24)15-8-11-29(13-15)16-4-2-1-3-5-16/h1-6,9,12-15H,7-8,10-11,25H2,(H,26,27,30);1-5,8,11,13-15H,6-7,9-10,12,25-26H2;2-5,12-15H,6-11,25H2,1H3;2-6,9,12-15H,7-8,10-11,25H2,1H3;1-5,8,11-14H,6-7,9-10,24H2,(H2,25,31).

What are the key properties of 2-amino-1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxamide;6-bromo-5-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-phenylpyrrol-3-yl)-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methyl 4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate?

2-amino-1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxamide;6-bromo-5-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-phenylpyrrol-3-yl)-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methyl 4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate has a molecular weight of 2584.07 g/mol, XLogP of 18.13, 21 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxamide;6-bromo-5-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-phenylpyrrol-3-yl)-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methyl 4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate is sourced from PubChem (CID 157487016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).