1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxy-3-methoxy-2-(methoxymethyl)propan-1-one;1-[4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]ethanone;(2R)-1-[4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-[1-(oxane-4-carbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone

C121H132Br2N26O15 — CID 160744641

About 1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxy-3-methoxy-2-(methoxymethyl)propan-1-one;1-[4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]ethanone;(2R)-1-[4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-[1-(oxane-4-carbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone

1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxy-3-methoxy-2-(methoxymethyl)propan-1-one;1-[4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]ethanone;(2R)-1-[4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-[1-(oxane-4-carbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone (PubChem CID 160744641) has the molecular formula C121H132Br2N26O15 and a molecular weight of 2350.36 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]-2-hydroxy-3-methoxy-2-(methoxymethyl)propan-1-one;1-[4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]ethanone;(2R)-1-[4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-[1-(oxane-4-carbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone.

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]-2-hydroxy-3-methoxy-2-(methoxymethyl)propan-1-one;1-[4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]ethanone;(2R)-1-[4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-[1-(oxane-4-carbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
• PubChem CID: 160744641
• Molecular Formula: C121H132Br2N26O15
• Molecular Weight: 2350.36 g/mol
• Exact Mass: 2346.87
• IUPAC Name: 1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxy-3-methoxy-2-(methoxymethyl)propan-1-one;1-[4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]ethanone;(2R)-1-[4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-[1-(oxane-4-carbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
• SMILES: CC(=O)N1CCC(O)(C(=O)N2CCC(c3nc4c(-c5ccc(-c6ccccc6)nc5)cnn4c(N)c3Br)CC2)CC1.CC(=O)c1c(C2CCN(C(=O)C3CCOCC3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.COCC(O)(COC)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2C(C)=O)CC1.C[C@@H](O)C(=O)N1CCC(O)(C(=O)N2CCC(c3nc4c(-c5ccc(-c6ccccc6)nc5)cnn4c(N)c3Br)CC2)CC1
• InChI: InChI=1S/C31H34BrN7O4.C30H32BrN7O3.C30H34N6O5.C30H32N6O3/c1-19(40)29(41)37-15-11-31(43,12-16-37)30(42)38-13-9-21(10-14-38)26-25(32)27(33)39-28(36-26)23(18-35-39)22-7-8-24(34-17-22)20-5-3-2-4-6-20;1-19(39)36-15-11-30(41,12-16-36)29(40)37-13-9-21(10-14-37)26-25(31)27(32)38-28(35-26)23(18-34-38)22-7-8-24(33-17-22)20-5-3-2-4-6-20;1-19(37)25-26(21-11-13-35(14-12-21)29(38)30(39,17-40-2)18-41-3)34-28-23(16-33-36(28)27(25)31)22-9-10-24(32-15-22)20-7-5-4-6-8-20;1-19(37)26-27(21-9-13-35(14-10-21)30(38)22-11-15-39-16-12-22)34-29-24(18-33-36(29)28(26)31)23-7-8-25(32-17-23)20-5-3-2-4-6-20/h2-8,17-19,21,40,43H,9-16,33H2,1H3;2-8,17-18,21,41H,9-16,32H2,1H3;4-10,15-16,21,39H,11-14,17-18,31H2,1-3H3;2-8,17-18,21-22H,9-16,31H2,1H3/t19-;;;/m1.../s1
• InChIKey: RWASGUVIYLKLQM-RGFWRHHQSA-N
• XLogP: 14.47
• TPSA: 541.01 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 23
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2350.36
LogP ≤ 5	14.47
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

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]-2-hydroxy-3-methoxy-2-(methoxymethyl)propan-1-one;1-[4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]ethanone;(2R)-1-[4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-[1-(oxane-4-carbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?

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]-2-hydroxy-3-methoxy-2-(methoxymethyl)propan-1-one;1-[4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]ethanone;(2R)-1-[4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-[1-(oxane-4-carbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone (CID 160744641) is 1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxy-3-methoxy-2-(methoxymethyl)propan-1-one;1-[4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]ethanone;(2R)-1-[4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-[1-(oxane-4-carbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone.

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]-2-hydroxy-3-methoxy-2-(methoxymethyl)propan-1-one;1-[4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]ethanone;(2R)-1-[4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-[1-(oxane-4-carbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?

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]-2-hydroxy-3-methoxy-2-(methoxymethyl)propan-1-one;1-[4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]ethanone;(2R)-1-[4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-[1-(oxane-4-carbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone is CC(=O)N1CCC(O)(C(=O)N2CCC(c3nc4c(-c5ccc(-c6ccccc6)nc5)cnn4c(N)c3Br)CC2)CC1.CC(=O)c1c(C2CCN(C(=O)C3CCOCC3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.COCC(O)(COC)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2C(C)=O)CC1.C[C@@H](O)C(=O)N1CCC(O)(C(=O)N2CCC(c3nc4c(-c5ccc(-c6ccccc6)nc5)cnn4c(N)c3Br)CC2)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]-2-hydroxy-3-methoxy-2-(methoxymethyl)propan-1-one;1-[4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]ethanone;(2R)-1-[4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-[1-(oxane-4-carbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?

The InChIKey is RWASGUVIYLKLQM-RGFWRHHQSA-N. The full InChI is InChI=1S/C31H34BrN7O4.C30H32BrN7O3.C30H34N6O5.C30H32N6O3/c1-19(40)29(41)37-15-11-31(43,12-16-37)30(42)38-13-9-21(10-14-38)26-25(32)27(33)39-28(36-26)23(18-35-39)22-7-8-24(34-17-22)20-5-3-2-4-6-20;1-19(39)36-15-11-30(41,12-16-36)29(40)37-13-9-21(10-14-37)26-25(31)27(32)38-28(35-26)23(18-34-38)22-7-8-24(33-17-22)20-5-3-2-4-6-20;1-19(37)25-26(21-11-13-35(14-12-21)29(38)30(39,17-40-2)18-41-3)34-28-23(16-33-36(28)27(25)31)22-9-10-24(32-15-22)20-7-5-4-6-8-20;1-19(37)26-27(21-9-13-35(14-10-21)30(38)22-11-15-39-16-12-22)34-29-24(18-33-36(29)28(26)31)23-7-8-25(32-17-23)20-5-3-2-4-6-20/h2-8,17-19,21,40,43H,9-16,33H2,1H3;2-8,17-18,21,41H,9-16,32H2,1H3;4-10,15-16,21,39H,11-14,17-18,31H2,1-3H3;2-8,17-18,21-22H,9-16,31H2,1H3/t19-;;;/m1.../s1.

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]-2-hydroxy-3-methoxy-2-(methoxymethyl)propan-1-one;1-[4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]ethanone;(2R)-1-[4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-[1-(oxane-4-carbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?

1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxy-3-methoxy-2-(methoxymethyl)propan-1-one;1-[4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]ethanone;(2R)-1-[4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-[1-(oxane-4-carbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone has a molecular weight of 2350.36 g/mol, XLogP of 14.47, 23 rotatable bonds, 8 hydrogen bond donors, and 35 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]-2-hydroxy-3-methoxy-2-(methoxymethyl)propan-1-one;1-[4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]ethanone;(2R)-1-[4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-[1-(oxane-4-carbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 160744641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).