[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(4-methylmorpholin-2-yl)methanone;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylpropan-1-one;5-[2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

C107H107Br4N27O8 — CID 158381553

About [4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(4-methylmorpholin-2-yl)methanone;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylpropan-1-one;5-[2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(4-methylmorpholin-2-yl)methanone;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylpropan-1-one;5-[2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 158381553) has the molecular formula C107H107Br4N27O8 and a molecular weight of 2218.83 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-hydroxycyclopropyl)methanone;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(4-methylmorpholin-2-yl)methanone;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylpropan-1-one;5-[2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

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-hydroxycyclopropyl)methanone;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(4-methylmorpholin-2-yl)methanone;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylpropan-1-one;5-[2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
• PubChem CID: 158381553
• Molecular Formula: C107H107Br4N27O8
• Molecular Weight: 2218.83 g/mol
• Exact Mass: 2213.55
• IUPAC Name: [4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(4-methylmorpholin-2-yl)methanone;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylpropan-1-one;5-[2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
• SMILES: CC(C)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2Br)CC1.CN1CCOC(C(=O)N2CCC(c3nc4c(-c5ccc(-c6ccccc6)nc5)cnn4c(N)c3Br)CC2)C1.Nc1c(Br)c(C2CCN(C(=O)C3(O)CC3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(C2CCN(C(=O)CC3NC(=O)NC3=O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12
• InChI: InChI=1S/C28H30BrN7O2.C27H25BrN8O3.C26H25BrN6O2.C26H27BrN6O/c1-34-13-14-38-23(17-34)28(37)35-11-9-19(10-12-35)25-24(29)26(30)36-27(33-25)21(16-32-36)20-7-8-22(31-15-20)18-5-3-2-4-6-18;28-22-23(16-8-10-35(11-9-16)21(37)12-20-26(38)34-27(39)32-20)33-25-18(14-31-36(25)24(22)29)17-6-7-19(30-13-17)15-4-2-1-3-5-15;27-21-22(17-8-12-32(13-9-17)25(34)26(35)10-11-26)31-24-19(15-30-33(24)23(21)28)18-6-7-20(29-14-18)16-4-2-1-3-5-16;1-16(2)26(34)32-12-10-18(11-13-32)23-22(27)24(28)33-25(31-23)20(15-30-33)19-8-9-21(29-14-19)17-6-4-3-5-7-17/h2-8,15-16,19,23H,9-14,17,30H2,1H3;1-7,13-14,16,20H,8-12,29H2,(H2,32,34,38,39);1-7,14-15,17,35H,8-13,28H2;3-9,14-16,18H,10-13,28H2,1-2H3
• InChIKey: GVVSTWZZRAZWEJ-UHFFFAOYSA-N
• XLogP: 16.15
• TPSA: 448.54 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 17
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2218.83
LogP ≤ 5	16.15
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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-hydroxycyclopropyl)methanone;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(4-methylmorpholin-2-yl)methanone;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylpropan-1-one;5-[2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?

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-hydroxycyclopropyl)methanone;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(4-methylmorpholin-2-yl)methanone;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylpropan-1-one;5-[2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 158381553) is [4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(4-methylmorpholin-2-yl)methanone;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylpropan-1-one;5-[2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

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-hydroxycyclopropyl)methanone;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(4-methylmorpholin-2-yl)methanone;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylpropan-1-one;5-[2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?

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-hydroxycyclopropyl)methanone;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(4-methylmorpholin-2-yl)methanone;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylpropan-1-one;5-[2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is CC(C)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2Br)CC1.CN1CCOC(C(=O)N2CCC(c3nc4c(-c5ccc(-c6ccccc6)nc5)cnn4c(N)c3Br)CC2)C1.Nc1c(Br)c(C2CCN(C(=O)C3(O)CC3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(C2CCN(C(=O)CC3NC(=O)NC3=O)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-hydroxycyclopropyl)methanone;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(4-methylmorpholin-2-yl)methanone;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylpropan-1-one;5-[2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?

The InChIKey is GVVSTWZZRAZWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30BrN7O2.C27H25BrN8O3.C26H25BrN6O2.C26H27BrN6O/c1-34-13-14-38-23(17-34)28(37)35-11-9-19(10-12-35)25-24(29)26(30)36-27(33-25)21(16-32-36)20-7-8-22(31-15-20)18-5-3-2-4-6-18;28-22-23(16-8-10-35(11-9-16)21(37)12-20-26(38)34-27(39)32-20)33-25-18(14-31-36(25)24(22)29)17-6-7-19(30-13-17)15-4-2-1-3-5-15;27-21-22(17-8-12-32(13-9-17)25(34)26(35)10-11-26)31-24-19(15-30-33(24)23(21)28)18-6-7-20(29-14-18)16-4-2-1-3-5-16;1-16(2)26(34)32-12-10-18(11-13-32)23-22(27)24(28)33-25(31-23)20(15-30-33)19-8-9-21(29-14-19)17-6-4-3-5-7-17/h2-8,15-16,19,23H,9-14,17,30H2,1H3;1-7,13-14,16,20H,8-12,29H2,(H2,32,34,38,39);1-7,14-15,17,35H,8-13,28H2;3-9,14-16,18H,10-13,28H2,1-2H3.

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-hydroxycyclopropyl)methanone;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(4-methylmorpholin-2-yl)methanone;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylpropan-1-one;5-[2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?

[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(4-methylmorpholin-2-yl)methanone;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylpropan-1-one;5-[2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 2218.83 g/mol, XLogP of 16.15, 17 rotatable bonds, 7 hydrogen bond donors, and 29 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-hydroxycyclopropyl)methanone;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(4-methylmorpholin-2-yl)methanone;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylpropan-1-one;5-[2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 158381553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).