2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;(2R)-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,3-dihydroxypropan-1-one;6-bromo-5-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine

C96H98Br4N28O7S — CID 159667122

About 2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;(2R)-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,3-dihydroxypropan-1-one;6-bromo-5-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine

2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;(2R)-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,3-dihydroxypropan-1-one;6-bromo-5-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 159667122) has the molecular formula C96H98Br4N28O7S and a molecular weight of 2107.71 g/mol. Its IUPAC name is 2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;(2R)-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,3-dihydroxypropan-1-one;6-bromo-5-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;(2R)-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,3-dihydroxypropan-1-one;6-bromo-5-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 159667122
• Molecular Formula: C96H98Br4N28O7S
• Molecular Weight: 2107.71 g/mol
• Exact Mass: 2102.46
• IUPAC Name: 2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;(2R)-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,3-dihydroxypropan-1-one;6-bromo-5-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: CC(C)NC(=O)N1CCC(c2nc3c(-c4ccc(-c5cccnc5)nc4)cnn3c(N)c2Br)CC1.NCC(=O)N1CCC(c2nc3c(-c4ccc(-c5cccnc5)nc4)cnn3c(N)c2Br)CC1.Nc1c(Br)c(C2CCN(C(=O)[C@H](O)CO)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(C2CCN(S(=O)(=O)C3CC3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12
• InChI: InChI=1S/C25H27BrN8O.C25H25BrN6O2S.C23H23BrN8O.C23H23BrN6O3/c1-15(2)31-25(35)33-10-7-16(8-11-33)22-21(26)23(27)34-24(32-22)19(14-30-34)17-5-6-20(29-13-17)18-4-3-9-28-12-18;26-22-23(17-10-12-31(13-11-17)35(33,34)19-7-8-19)30-25-20(15-29-32(25)24(22)27)18-6-9-21(28-14-18)16-4-2-1-3-5-16;24-20-21(14-5-8-31(9-6-14)19(33)10-25)30-23-17(13-29-32(23)22(20)26)15-3-4-18(28-12-15)16-2-1-7-27-11-16;24-19-20(13-5-7-29(8-6-13)23(33)18(32)12-31)28-22-16(11-27-30(22)21(19)25)15-9-14-3-1-2-4-17(14)26-10-15/h3-6,9,12-16H,7-8,10-11,27H2,1-2H3,(H,31,35);1-6,9,14-15,17,19H,7-8,10-13,27H2;1-4,7,11-14H,5-6,8-10,25-26H2;1-4,9-11,13,18,31-32H,5-8,12,25H2/t;;;18-/m...1/s1
• InChIKey: MTNXXFLELXYRJL-VQSBLDOUSA-N
• XLogP: 14.18
• TPSA: 479.00 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 30
• Rotatable Bonds: 17
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2107.71
LogP ≤ 5	14.18
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;(2R)-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,3-dihydroxypropan-1-one;6-bromo-5-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;(2R)-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,3-dihydroxypropan-1-one;6-bromo-5-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 159667122) is 2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;(2R)-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,3-dihydroxypropan-1-one;6-bromo-5-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;(2R)-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,3-dihydroxypropan-1-one;6-bromo-5-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;(2R)-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,3-dihydroxypropan-1-one;6-bromo-5-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine is CC(C)NC(=O)N1CCC(c2nc3c(-c4ccc(-c5cccnc5)nc4)cnn3c(N)c2Br)CC1.NCC(=O)N1CCC(c2nc3c(-c4ccc(-c5cccnc5)nc4)cnn3c(N)c2Br)CC1.Nc1c(Br)c(C2CCN(C(=O)[C@H](O)CO)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(C2CCN(S(=O)(=O)C3CC3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.

What is the InChIKey of 2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;(2R)-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,3-dihydroxypropan-1-one;6-bromo-5-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is MTNXXFLELXYRJL-VQSBLDOUSA-N. The full InChI is InChI=1S/C25H27BrN8O.C25H25BrN6O2S.C23H23BrN8O.C23H23BrN6O3/c1-15(2)31-25(35)33-10-7-16(8-11-33)22-21(26)23(27)34-24(32-22)19(14-30-34)17-5-6-20(29-13-17)18-4-3-9-28-12-18;26-22-23(17-10-12-31(13-11-17)35(33,34)19-7-8-19)30-25-20(15-29-32(25)24(22)27)18-6-9-21(28-14-18)16-4-2-1-3-5-16;24-20-21(14-5-8-31(9-6-14)19(33)10-25)30-23-17(13-29-32(23)22(20)26)15-3-4-18(28-12-15)16-2-1-7-27-11-16;24-19-20(13-5-7-29(8-6-13)23(33)18(32)12-31)28-22-16(11-27-30(22)21(19)25)15-9-14-3-1-2-4-17(14)26-10-15/h3-6,9,12-16H,7-8,10-11,27H2,1-2H3,(H,31,35);1-6,9,14-15,17,19H,7-8,10-13,27H2;1-4,7,11-14H,5-6,8-10,25-26H2;1-4,9-11,13,18,31-32H,5-8,12,25H2/t;;;18-/m...1/s1.

What are the key properties of 2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;(2R)-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,3-dihydroxypropan-1-one;6-bromo-5-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine?

2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;(2R)-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,3-dihydroxypropan-1-one;6-bromo-5-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2107.71 g/mol, XLogP of 14.18, 17 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;(2R)-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,3-dihydroxypropan-1-one;6-bromo-5-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 159667122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).