1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-3-methylbutan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-methoxypropan-1-one;benzyl 3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-1-carboxylate

C116H120N24O12 — CID 159675510

About 1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-3-methylbutan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-methoxypropan-1-one;benzyl 3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-1-carboxylate

1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-3-methylbutan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-methoxypropan-1-one;benzyl 3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-1-carboxylate (PubChem CID 159675510) has the molecular formula C116H120N24O12 and a molecular weight of 2042.39 g/mol. Its IUPAC name is 1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-3-methylbutan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-methoxypropan-1-one;benzyl 3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-1-carboxylate.

Molecular Properties

• Compound Name: 1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-3-methylbutan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-methoxypropan-1-one;benzyl 3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-1-carboxylate
• PubChem CID: 159675510
• Molecular Formula: C116H120N24O12
• Molecular Weight: 2042.39 g/mol
• Exact Mass: 2040.95
• IUPAC Name: 1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-3-methylbutan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-methoxypropan-1-one;benzyl 3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-1-carboxylate
• SMILES: CC(=O)c1c(C2CCN(C(=O)CC(C)(C)O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CC(=O)c1c(C2CCN(C(=O)CC(C)O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CC(=O)c1c(C2CCN(C(=O)OCc3ccccc3)C2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.COCCC(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2C(C)=O)CC1
• InChI: InChI=1S/C31H28N6O3.C29H32N6O3.2C28H30N6O3/c1-20(38)27-28(24-14-15-36(18-24)31(39)40-19-21-8-4-2-5-9-21)35-30-25(17-34-37(30)29(27)32)23-12-13-26(33-16-23)22-10-6-3-7-11-22;1-18(36)25-26(20-11-13-34(14-12-20)24(37)15-29(2,3)38)33-28-22(17-32-35(28)27(25)30)21-9-10-23(31-16-21)19-7-5-4-6-8-19;1-18(35)25-26(20-10-13-33(14-11-20)24(36)12-15-37-2)32-28-22(17-31-34(28)27(25)29)21-8-9-23(30-16-21)19-6-4-3-5-7-19;1-17(35)14-24(37)33-12-10-20(11-13-33)26-25(18(2)36)27(29)34-28(32-26)22(16-31-34)21-8-9-23(30-15-21)19-6-4-3-5-7-19/h2-13,16-17,24H,14-15,18-19,32H2,1H3;4-10,16-17,20,38H,11-15,30H2,1-3H3;3-9,16-17,20H,10-15,29H2,1-2H3;3-9,15-17,20,35H,10-14,29H2,1-2H3
• InChIKey: MUNWLZUUPGPYTM-UHFFFAOYSA-N
• XLogP: 17.18
• TPSA: 484.84 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 25
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2042.39
LogP ≤ 5	17.18
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-3-methylbutan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-methoxypropan-1-one;benzyl 3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-1-carboxylate?

The IUPAC name of 1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-3-methylbutan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-methoxypropan-1-one;benzyl 3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-1-carboxylate (CID 159675510) is 1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-3-methylbutan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-methoxypropan-1-one;benzyl 3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-1-carboxylate.

What is the SMILES notation for 1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-3-methylbutan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-methoxypropan-1-one;benzyl 3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-1-carboxylate?

The canonical SMILES for 1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-3-methylbutan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-methoxypropan-1-one;benzyl 3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-1-carboxylate is CC(=O)c1c(C2CCN(C(=O)CC(C)(C)O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CC(=O)c1c(C2CCN(C(=O)CC(C)O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CC(=O)c1c(C2CCN(C(=O)OCc3ccccc3)C2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.COCCC(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2C(C)=O)CC1.

What is the InChIKey of 1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-3-methylbutan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-methoxypropan-1-one;benzyl 3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-1-carboxylate?

The InChIKey is MUNWLZUUPGPYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N6O3.C29H32N6O3.2C28H30N6O3/c1-20(38)27-28(24-14-15-36(18-24)31(39)40-19-21-8-4-2-5-9-21)35-30-25(17-34-37(30)29(27)32)23-12-13-26(33-16-23)22-10-6-3-7-11-22;1-18(36)25-26(20-11-13-34(14-12-20)24(37)15-29(2,3)38)33-28-22(17-32-35(28)27(25)30)21-9-10-23(31-16-21)19-7-5-4-6-8-19;1-18(35)25-26(20-10-13-33(14-11-20)24(36)12-15-37-2)32-28-22(17-31-34(28)27(25)29)21-8-9-23(30-16-21)19-6-4-3-5-7-19;1-17(35)14-24(37)33-12-10-20(11-13-33)26-25(18(2)36)27(29)34-28(32-26)22(16-31-34)21-8-9-23(30-15-21)19-6-4-3-5-7-19/h2-13,16-17,24H,14-15,18-19,32H2,1H3;4-10,16-17,20,38H,11-15,30H2,1-3H3;3-9,16-17,20H,10-15,29H2,1-2H3;3-9,15-17,20,35H,10-14,29H2,1-2H3.

What are the key properties of 1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-3-methylbutan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-methoxypropan-1-one;benzyl 3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-1-carboxylate?

1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-3-methylbutan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-methoxypropan-1-one;benzyl 3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-1-carboxylate has a molecular weight of 2042.39 g/mol, XLogP of 17.18, 25 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-3-methylbutan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-methoxypropan-1-one;benzyl 3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 159675510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).