(2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone

C129H133BrN32O12 — CID 159795786

About (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone

(2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone (PubChem CID 159795786) has the molecular formula C129H133BrN32O12 and a molecular weight of 2403.60 g/mol. Its IUPAC name is (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone.

Molecular Properties

• Compound Name: (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
• PubChem CID: 159795786
• Molecular Formula: C129H133BrN32O12
• Molecular Weight: 2403.60 g/mol
• Exact Mass: 2401.00
• IUPAC Name: (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
• SMILES: CC(=O)c1c(C2CCN(Cc3cccnc3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CC(=O)c1c(N2CCN(C(=O)[C@@H](C)O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CC(=O)c1c(OCCN2CCOCC2)nc2c(-c3cnc4ccc(C)cc4c3)cnn2c1N.CC(=O)c1c(OCCN2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn2c1N.C[C@@H](O)C(=O)N1CCC(Cc2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2Br)CC1
• InChI: InChI=1S/C30H29N7O.C26H27BrN6O2.C26H27N7O3.C24H26N6O3.C23H24N6O3/c1-20(38)27-28(23-11-14-36(15-12-23)19-21-6-5-13-32-16-21)35-30-25(18-34-37(30)29(27)31)24-9-10-26(33-17-24)22-7-3-2-4-8-22;1-16(34)26(35)32-11-9-17(10-12-32)13-22-23(27)24(28)33-25(31-22)20(15-30-33)19-7-8-21(29-14-19)18-5-3-2-4-6-18;1-16(34)22-23(27)33-24(30-25(22)31-10-12-32(13-11-31)26(36)17(2)35)20(15-29-33)19-8-9-21(28-14-19)18-6-4-3-5-7-18;1-15-3-4-20-17(11-15)12-18(13-26-20)19-14-27-30-22(25)21(16(2)31)24(28-23(19)30)33-10-7-29-5-8-32-9-6-29;1-15(30)20-21(24)29-22(27-23(20)32-11-8-28-6-9-31-10-7-28)18(14-26-29)17-12-16-4-2-3-5-19(16)25-13-17/h2-10,13,16-18,23H,11-12,14-15,19,31H2,1H3;2-8,14-17,34H,9-13,28H2,1H3;3-9,14-15,17,35H,10-13,27H2,1-2H3;3-4,11-14H,5-10,25H2,1-2H3;2-5,12-14H,6-11,24H2,1H3/t;16-;17-;;/m.11../s1
• InChIKey: NJDSXHJVCAAFAX-GJVDSPHDSA-N
• XLogP: 16.44
• TPSA: 557.63 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 42
• Rotatable Bonds: 28
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2403.60
LogP ≤ 5	16.44
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?

The IUPAC name of (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone (CID 159795786) is (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone.

What is the SMILES notation for (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?

The canonical SMILES for (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone is CC(=O)c1c(C2CCN(Cc3cccnc3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CC(=O)c1c(N2CCN(C(=O)[C@@H](C)O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CC(=O)c1c(OCCN2CCOCC2)nc2c(-c3cnc4ccc(C)cc4c3)cnn2c1N.CC(=O)c1c(OCCN2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn2c1N.C[C@@H](O)C(=O)N1CCC(Cc2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2Br)CC1.

What is the InChIKey of (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?

The InChIKey is NJDSXHJVCAAFAX-GJVDSPHDSA-N. The full InChI is InChI=1S/C30H29N7O.C26H27BrN6O2.C26H27N7O3.C24H26N6O3.C23H24N6O3/c1-20(38)27-28(23-11-14-36(15-12-23)19-21-6-5-13-32-16-21)35-30-25(18-34-37(30)29(27)31)24-9-10-26(33-17-24)22-7-3-2-4-8-22;1-16(34)26(35)32-11-9-17(10-12-32)13-22-23(27)24(28)33-25(31-22)20(15-30-33)19-7-8-21(29-14-19)18-5-3-2-4-6-18;1-16(34)22-23(27)33-24(30-25(22)31-10-12-32(13-11-31)26(36)17(2)35)20(15-29-33)19-8-9-21(28-14-19)18-6-4-3-5-7-18;1-15-3-4-20-17(11-15)12-18(13-26-20)19-14-27-30-22(25)21(16(2)31)24(28-23(19)30)33-10-7-29-5-8-32-9-6-29;1-15(30)20-21(24)29-22(27-23(20)32-11-8-28-6-9-31-10-7-28)18(14-26-29)17-12-16-4-2-3-5-19(16)25-13-17/h2-10,13,16-18,23H,11-12,14-15,19,31H2,1H3;2-8,14-17,34H,9-13,28H2,1H3;3-9,14-15,17,35H,10-13,27H2,1-2H3;3-4,11-14H,5-10,25H2,1-2H3;2-5,12-14H,6-11,24H2,1H3/t;16-;17-;;/m.11../s1.

What are the key properties of (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?

(2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone has a molecular weight of 2403.60 g/mol, XLogP of 16.44, 28 rotatable bonds, 7 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 159795786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).