[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]carbamic acid;1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-methylpiperidine-1-carboxamide;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;methane

C118H127Br5N32O9S — CID 158785231

About [4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]carbamic acid;1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-methylpiperidine-1-carboxamide;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;methane

[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]carbamic acid;1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-methylpiperidine-1-carboxamide;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;methane (PubChem CID 158785231) has the molecular formula C118H127Br5N32O9S and a molecular weight of 2569.12 g/mol. Its IUPAC name is [4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]carbamic acid;1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-methylpiperidine-1-carboxamide;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;methane.

Molecular Properties

• Compound Name: [4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]carbamic acid;1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-methylpiperidine-1-carboxamide;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;methane
• PubChem CID: 158785231
• Molecular Formula: C118H127Br5N32O9S
• Molecular Weight: 2569.12 g/mol
• Exact Mass: 2562.61
• IUPAC Name: [4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]carbamic acid;1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-methylpiperidine-1-carboxamide;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;methane
• SMILES: C.C.CC(=O)N1CCC(c2nc3c(-c4ccn(-c5ccccc5)c4)cnn3c(N)c2Br)CC1.CC(O)CC(=O)N1CCC(c2nc3c(-c4ccn(-c5ccccc5)c4)cnn3c(N)c2Br)CC1.CCS(=O)(=O)N1CCC(c2nc3c(-c4ccn(-c5ccccc5)c4)cnn3c(N)c2Br)CC1.CNC(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.Nc1c(Br)c(C2CCN(C(=O)NC(=O)O)CC2)nc2c(-c3ccn(-c4ccccc4)c3)cnn12
• InChI: InChI=1S/C25H27BrN6O2.C23H22BrN7O3.C23H25BrN6O2S.C23H23BrN6O.C22H22BrN7O.2CH4/c1-16(33)13-21(34)30-10-7-17(8-11-30)23-22(26)24(27)32-25(29-23)20(14-28-32)18-9-12-31(15-18)19-5-3-2-4-6-19;24-18-19(14-6-9-29(10-7-14)22(32)28-23(33)34)27-21-17(12-26-31(21)20(18)25)15-8-11-30(13-15)16-4-2-1-3-5-16;1-2-33(31,32)29-12-9-16(10-13-29)21-20(24)22(25)30-23(27-21)19(14-26-30)17-8-11-28(15-17)18-6-4-3-5-7-18;1-15(31)28-10-7-16(8-11-28)21-20(24)22(25)30-23(27-21)19(13-26-30)17-9-12-29(14-17)18-5-3-2-4-6-18;1-25-22(31)29-8-6-13(7-9-29)19-18(23)20(24)30-21(28-19)16(12-27-30)15-10-14-4-2-3-5-17(14)26-11-15;;/h2-6,9,12,14-17,33H,7-8,10-11,13,27H2,1H3;1-5,8,11-14H,6-7,9-10,25H2,(H,28,32)(H,33,34);3-8,11,14-16H,2,9-10,12-13,25H2,1H3;2-6,9,12-14,16H,7-8,10-11,25H2,1H3;2-5,10-13H,6-9,24H2,1H3,(H,25,31);2*1H4
• InChIKey: IRPBQKDQJFWUDO-UHFFFAOYSA-N
• XLogP: 21.51
• TPSA: 513.87 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 33
• Rotatable Bonds: 18
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2569.12
LogP ≤ 5	21.51
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of [4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]carbamic acid;1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-methylpiperidine-1-carboxamide;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;methane?

The IUPAC name of [4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]carbamic acid;1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-methylpiperidine-1-carboxamide;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;methane (CID 158785231) is [4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]carbamic acid;1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-methylpiperidine-1-carboxamide;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;methane.

What is the SMILES notation for [4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]carbamic acid;1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-methylpiperidine-1-carboxamide;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;methane?

The canonical SMILES for [4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]carbamic acid;1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-methylpiperidine-1-carboxamide;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;methane is C.C.CC(=O)N1CCC(c2nc3c(-c4ccn(-c5ccccc5)c4)cnn3c(N)c2Br)CC1.CC(O)CC(=O)N1CCC(c2nc3c(-c4ccn(-c5ccccc5)c4)cnn3c(N)c2Br)CC1.CCS(=O)(=O)N1CCC(c2nc3c(-c4ccn(-c5ccccc5)c4)cnn3c(N)c2Br)CC1.CNC(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.Nc1c(Br)c(C2CCN(C(=O)NC(=O)O)CC2)nc2c(-c3ccn(-c4ccccc4)c3)cnn12.

What is the InChIKey of [4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]carbamic acid;1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-methylpiperidine-1-carboxamide;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;methane?

The InChIKey is IRPBQKDQJFWUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27BrN6O2.C23H22BrN7O3.C23H25BrN6O2S.C23H23BrN6O.C22H22BrN7O.2CH4/c1-16(33)13-21(34)30-10-7-17(8-11-30)23-22(26)24(27)32-25(29-23)20(14-28-32)18-9-12-31(15-18)19-5-3-2-4-6-19;24-18-19(14-6-9-29(10-7-14)22(32)28-23(33)34)27-21-17(12-26-31(21)20(18)25)15-8-11-30(13-15)16-4-2-1-3-5-16;1-2-33(31,32)29-12-9-16(10-13-29)21-20(24)22(25)30-23(27-21)19(14-26-30)17-8-11-28(15-17)18-6-4-3-5-7-18;1-15(31)28-10-7-16(8-11-28)21-20(24)22(25)30-23(27-21)19(13-26-30)17-9-12-29(14-17)18-5-3-2-4-6-18;1-25-22(31)29-8-6-13(7-9-29)19-18(23)20(24)30-21(28-19)16(12-27-30)15-10-14-4-2-3-5-17(14)26-11-15;;/h2-6,9,12,14-17,33H,7-8,10-11,13,27H2,1H3;1-5,8,11-14H,6-7,9-10,25H2,(H,28,32)(H,33,34);3-8,11,14-16H,2,9-10,12-13,25H2,1H3;2-6,9,12-14,16H,7-8,10-11,25H2,1H3;2-5,10-13H,6-9,24H2,1H3,(H,25,31);2*1H4.

What are the key properties of [4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]carbamic acid;1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-methylpiperidine-1-carboxamide;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;methane?

[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]carbamic acid;1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-methylpiperidine-1-carboxamide;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;methane has a molecular weight of 2569.12 g/mol, XLogP of 21.51, 18 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]carbamic acid;1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;1-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-methylpiperidine-1-carboxamide;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;methane is sourced from PubChem (CID 158785231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).