[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1-hydroxycyclohexyl)methanone;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1-hydroxycyclopentyl)methanone;(2R)-1-[4-(7-amino-6-bromo-3-thieno[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-[1-(1-hydroxycyclohexanecarbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-[1-(1-hydroxycyclopentanecarbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone

C139H147Br3N30O12S — CID 159690969

About [4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1-hydroxycyclohexyl)methanone;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1-hydroxycyclopentyl)methanone;(2R)-1-[4-(7-amino-6-bromo-3-thieno[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-[1-(1-hydroxycyclohexanecarbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-[1-(1-hydroxycyclopentanecarbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone

[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1-hydroxycyclohexyl)methanone;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1-hydroxycyclopentyl)methanone;(2R)-1-[4-(7-amino-6-bromo-3-thieno[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-[1-(1-hydroxycyclohexanecarbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-[1-(1-hydroxycyclopentanecarbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone (PubChem CID 159690969) has the molecular formula C139H147Br3N30O12S and a molecular weight of 2701.68 g/mol. Its IUPAC name is [4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1-hydroxycyclohexyl)methanone;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1-hydroxycyclopentyl)methanone;(2R)-1-[4-(7-amino-6-bromo-3-thieno[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-[1-(1-hydroxycyclohexanecarbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-[1-(1-hydroxycyclopentanecarbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone.

Molecular Properties

• Compound Name: [4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1-hydroxycyclohexyl)methanone;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1-hydroxycyclopentyl)methanone;(2R)-1-[4-(7-amino-6-bromo-3-thieno[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-[1-(1-hydroxycyclohexanecarbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-[1-(1-hydroxycyclopentanecarbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
• PubChem CID: 159690969
• Molecular Formula: C139H147Br3N30O12S
• Molecular Weight: 2701.68 g/mol
• Exact Mass: 2696.91
• IUPAC Name: [4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1-hydroxycyclohexyl)methanone;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1-hydroxycyclopentyl)methanone;(2R)-1-[4-(7-amino-6-bromo-3-thieno[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-[1-(1-hydroxycyclohexanecarbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-[1-(1-hydroxycyclopentanecarbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
• SMILES: CC(=O)c1c(C2CCN(C(=O)C3(O)CCCC3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CC(=O)c1c(C2CCN(C(=O)C3(O)CCCCC3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4cnc5sccc5c4)cnn3c(N)c2Br)CC1.Nc1c(Br)c(C2CCN(C(=O)C3(O)CCCC3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(C2CCN(C(=O)C3(O)CCCCC3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12
• InChI: InChI=1S/C31H34N6O3.C30H32N6O3.C29H31BrN6O2.C28H29BrN6O2.C21H21BrN6O2S/c1-20(38)26-27(22-12-16-36(17-13-22)30(39)31(40)14-6-3-7-15-31)35-29-24(19-34-37(29)28(26)32)23-10-11-25(33-18-23)21-8-4-2-5-9-21;1-19(37)25-26(21-11-15-35(16-12-21)29(38)30(39)13-5-6-14-30)34-28-23(18-33-36(28)27(25)31)22-9-10-24(32-17-22)20-7-3-2-4-8-20;30-24-25(20-11-15-35(16-12-20)28(37)29(38)13-5-2-6-14-29)34-27-22(18-33-36(27)26(24)31)21-9-10-23(32-17-21)19-7-3-1-4-8-19;29-23-24(19-10-14-34(15-11-19)27(36)28(37)12-4-5-13-28)33-26-21(17-32-35(26)25(23)30)20-8-9-22(31-16-20)18-6-2-1-3-7-18;1-11(29)21(30)27-5-2-12(3-6-27)17-16(22)18(23)28-19(26-17)15(10-25-28)14-8-13-4-7-31-20(13)24-9-14/h2,4-5,8-11,18-19,22,40H,3,6-7,12-17,32H2,1H3;2-4,7-10,17-18,21,39H,5-6,11-16,31H2,1H3;1,3-4,7-10,17-18,20,38H,2,5-6,11-16,31H2;1-3,6-9,16-17,19,37H,4-5,10-15,30H2;4,7-12,29H,2-3,5-6,23H2,1H3/t;;;;11-/m....1/s1
• InChIKey: MWKFGYIQIUMWGO-PXAOQQMGSA-N
• XLogP: 22.35
• TPSA: 582.34 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 38
• Rotatable Bonds: 21
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2701.68
LogP ≤ 5	22.35
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of [4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1-hydroxycyclohexyl)methanone;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1-hydroxycyclopentyl)methanone;(2R)-1-[4-(7-amino-6-bromo-3-thieno[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-[1-(1-hydroxycyclohexanecarbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-[1-(1-hydroxycyclopentanecarbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?

The IUPAC name of [4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1-hydroxycyclohexyl)methanone;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1-hydroxycyclopentyl)methanone;(2R)-1-[4-(7-amino-6-bromo-3-thieno[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-[1-(1-hydroxycyclohexanecarbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-[1-(1-hydroxycyclopentanecarbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone (CID 159690969) is [4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1-hydroxycyclohexyl)methanone;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1-hydroxycyclopentyl)methanone;(2R)-1-[4-(7-amino-6-bromo-3-thieno[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-[1-(1-hydroxycyclohexanecarbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-[1-(1-hydroxycyclopentanecarbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone.

What is the SMILES notation for [4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1-hydroxycyclohexyl)methanone;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1-hydroxycyclopentyl)methanone;(2R)-1-[4-(7-amino-6-bromo-3-thieno[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-[1-(1-hydroxycyclohexanecarbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-[1-(1-hydroxycyclopentanecarbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?

The canonical SMILES for [4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1-hydroxycyclohexyl)methanone;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1-hydroxycyclopentyl)methanone;(2R)-1-[4-(7-amino-6-bromo-3-thieno[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-[1-(1-hydroxycyclohexanecarbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-[1-(1-hydroxycyclopentanecarbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone is CC(=O)c1c(C2CCN(C(=O)C3(O)CCCC3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CC(=O)c1c(C2CCN(C(=O)C3(O)CCCCC3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4cnc5sccc5c4)cnn3c(N)c2Br)CC1.Nc1c(Br)c(C2CCN(C(=O)C3(O)CCCC3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(C2CCN(C(=O)C3(O)CCCCC3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.

What is the InChIKey of [4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1-hydroxycyclohexyl)methanone;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1-hydroxycyclopentyl)methanone;(2R)-1-[4-(7-amino-6-bromo-3-thieno[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-[1-(1-hydroxycyclohexanecarbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-[1-(1-hydroxycyclopentanecarbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?

The InChIKey is MWKFGYIQIUMWGO-PXAOQQMGSA-N. The full InChI is InChI=1S/C31H34N6O3.C30H32N6O3.C29H31BrN6O2.C28H29BrN6O2.C21H21BrN6O2S/c1-20(38)26-27(22-12-16-36(17-13-22)30(39)31(40)14-6-3-7-15-31)35-29-24(19-34-37(29)28(26)32)23-10-11-25(33-18-23)21-8-4-2-5-9-21;1-19(37)25-26(21-11-15-35(16-12-21)29(38)30(39)13-5-6-14-30)34-28-23(18-33-36(28)27(25)31)22-9-10-24(32-17-22)20-7-3-2-4-8-20;30-24-25(20-11-15-35(16-12-20)28(37)29(38)13-5-2-6-14-29)34-27-22(18-33-36(27)26(24)31)21-9-10-23(32-17-21)19-7-3-1-4-8-19;29-23-24(19-10-14-34(15-11-19)27(36)28(37)12-4-5-13-28)33-26-21(17-32-35(26)25(23)30)20-8-9-22(31-16-20)18-6-2-1-3-7-18;1-11(29)21(30)27-5-2-12(3-6-27)17-16(22)18(23)28-19(26-17)15(10-25-28)14-8-13-4-7-31-20(13)24-9-14/h2,4-5,8-11,18-19,22,40H,3,6-7,12-17,32H2,1H3;2-4,7-10,17-18,21,39H,5-6,11-16,31H2,1H3;1,3-4,7-10,17-18,20,38H,2,5-6,11-16,31H2;1-3,6-9,16-17,19,37H,4-5,10-15,30H2;4,7-12,29H,2-3,5-6,23H2,1H3/t;;;;11-/m....1/s1.

What are the key properties of [4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1-hydroxycyclohexyl)methanone;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1-hydroxycyclopentyl)methanone;(2R)-1-[4-(7-amino-6-bromo-3-thieno[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-[1-(1-hydroxycyclohexanecarbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-[1-(1-hydroxycyclopentanecarbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?

[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1-hydroxycyclohexyl)methanone;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1-hydroxycyclopentyl)methanone;(2R)-1-[4-(7-amino-6-bromo-3-thieno[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-[1-(1-hydroxycyclohexanecarbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-[1-(1-hydroxycyclopentanecarbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone has a molecular weight of 2701.68 g/mol, XLogP of 22.35, 21 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1-hydroxycyclohexyl)methanone;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1-hydroxycyclopentyl)methanone;(2R)-1-[4-(7-amino-6-bromo-3-thieno[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-[1-(1-hydroxycyclohexanecarbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-[1-(1-hydroxycyclopentanecarbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 159690969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).