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;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylic acid;6-bromo-5-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[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;methane

C115H118Br5N35O8S2 — CID 157328382

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;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylic acid;6-bromo-5-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[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;methane

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;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylic acid;6-bromo-5-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[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;methane (PubChem CID 157328382) has the molecular formula C115H118Br5N35O8S2 and a molecular weight of 2582.10 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;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylic acid;6-bromo-5-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[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;methane.

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;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylic acid;6-bromo-5-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[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;methane
• PubChem CID: 157328382
• Molecular Formula: C115H118Br5N35O8S2
• Molecular Weight: 2582.10 g/mol
• Exact Mass: 2575.53
• 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;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylic acid;6-bromo-5-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[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;methane
• SMILES: C.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(C(=O)O)CC2)nc2c(-c3ccn(-c4ccccc4)c3)cnn12.Nc1c(Br)c(C2CCN(S(=O)(=O)C3CC3)CC2)nc2c(-c3ccn(-c4ccccc4)c3)cnn12.Nc1c(Br)c(C2CCN(S(=O)(=O)c3ncn[nH]3)CC2)nc2c(-c3ccn(-c4ccccc4)c3)cnn12
• InChI: InChI=1S/C24H25BrN6O2S.C23H22BrN9O2S.C23H24BrN7O.C22H22BrN7O.C22H21BrN6O2.CH4/c25-21-22(16-9-12-30(13-10-16)34(32,33)19-6-7-19)28-24-20(14-27-31(24)23(21)26)17-8-11-29(15-17)18-4-2-1-3-5-18;24-19-20(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;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;23-18-19(14-6-9-27(10-7-14)22(30)31)26-21-17(12-25-29(21)20(18)24)15-8-11-28(13-15)16-4-2-1-3-5-16;/h1-5,8,11,14-16,19H,6-7,9-10,12-13,26H2;1-6,9,12-15H,7-8,10-11,25H2,(H,26,27,30);1-5,8,11,13-15H,6-7,9-10,12,25-26H2;1-5,8,11-14H,6-7,9-10,24H2,(H2,25,31);1-5,8,11-14H,6-7,9-10,24H2,(H,30,31);1H4
• InChIKey: BEZMHAPDXHCKIM-UHFFFAOYSA-N
• XLogP: 19.43
• TPSA: 555.23 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 35
• Rotatable Bonds: 20
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2582.10
LogP ≤ 5	19.43
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	35

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;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylic acid;6-bromo-5-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[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;methane?

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;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylic acid;6-bromo-5-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[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;methane (CID 157328382) 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;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylic acid;6-bromo-5-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[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;methane.

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;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylic acid;6-bromo-5-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[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;methane?

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;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylic acid;6-bromo-5-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[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;methane is C.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(C(=O)O)CC2)nc2c(-c3ccn(-c4ccccc4)c3)cnn12.Nc1c(Br)c(C2CCN(S(=O)(=O)C3CC3)CC2)nc2c(-c3ccn(-c4ccccc4)c3)cnn12.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;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylic acid;6-bromo-5-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[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;methane?

The InChIKey is BEZMHAPDXHCKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN6O2S.C23H22BrN9O2S.C23H24BrN7O.C22H22BrN7O.C22H21BrN6O2.CH4/c25-21-22(16-9-12-30(13-10-16)34(32,33)19-6-7-19)28-24-20(14-27-31(24)23(21)26)17-8-11-29(15-17)18-4-2-1-3-5-18;24-19-20(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;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;23-18-19(14-6-9-27(10-7-14)22(30)31)26-21-17(12-25-29(21)20(18)24)15-8-11-28(13-15)16-4-2-1-3-5-16;/h1-5,8,11,14-16,19H,6-7,9-10,12-13,26H2;1-6,9,12-15H,7-8,10-11,25H2,(H,26,27,30);1-5,8,11,13-15H,6-7,9-10,12,25-26H2;1-5,8,11-14H,6-7,9-10,24H2,(H2,25,31);1-5,8,11-14H,6-7,9-10,24H2,(H,30,31);1H4.

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;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylic acid;6-bromo-5-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[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;methane?

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;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylic acid;6-bromo-5-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[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;methane has a molecular weight of 2582.10 g/mol, XLogP of 19.43, 20 rotatable bonds, 9 hydrogen bond donors, and 35 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;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylic acid;6-bromo-5-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[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;methane is sourced from PubChem (CID 157328382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).