5-amino-1-(6-bromo-3-pyridinyl)pyrazole-4-carbonitrile;5-amino-1-(6-phenyl-3-pyridinyl)pyrazole-4-carbonitrile;6-bromopyridin-3-amine;(6-bromo-3-pyridinyl)hydrazine;tert-butyl 4-hydroxy-4-[[4-oxo-1-(6-phenyl-3-pyridinyl)pyrazolo[5,4-d]pyrimidin-5-yl]methyl]piperidine-1-carboxylate;5-[[4-hydroxy-1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]-1-(6-phenyl-3-pyridinyl)pyrazolo[5,4-d]pyrimidin-4-one;1-(6-phenyl-3-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C101H90Br3F3N32O8 — CID 159051312

About 5-amino-1-(6-bromo-3-pyridinyl)pyrazole-4-carbonitrile;5-amino-1-(6-phenyl-3-pyridinyl)pyrazole-4-carbonitrile;6-bromopyridin-3-amine;(6-bromo-3-pyridinyl)hydrazine;tert-butyl 4-hydroxy-4-[[4-oxo-1-(6-phenyl-3-pyridinyl)pyrazolo[5,4-d]pyrimidin-5-yl]methyl]piperidine-1-carboxylate;5-[[4-hydroxy-1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]-1-(6-phenyl-3-pyridinyl)pyrazolo[5,4-d]pyrimidin-4-one;1-(6-phenyl-3-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

5-amino-1-(6-bromo-3-pyridinyl)pyrazole-4-carbonitrile;5-amino-1-(6-phenyl-3-pyridinyl)pyrazole-4-carbonitrile;6-bromopyridin-3-amine;(6-bromo-3-pyridinyl)hydrazine;tert-butyl 4-hydroxy-4-[[4-oxo-1-(6-phenyl-3-pyridinyl)pyrazolo[5,4-d]pyrimidin-5-yl]methyl]piperidine-1-carboxylate;5-[[4-hydroxy-1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]-1-(6-phenyl-3-pyridinyl)pyrazolo[5,4-d]pyrimidin-4-one;1-(6-phenyl-3-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 159051312) has the molecular formula C101H90Br3F3N32O8 and a molecular weight of 2176.75 g/mol. Its IUPAC name is 5-amino-1-(6-bromo-3-pyridinyl)pyrazole-4-carbonitrile;5-amino-1-(6-phenyl-3-pyridinyl)pyrazole-4-carbonitrile;6-bromopyridin-3-amine;(6-bromo-3-pyridinyl)hydrazine;tert-butyl 4-hydroxy-4-[[4-oxo-1-(6-phenyl-3-pyridinyl)pyrazolo[5,4-d]pyrimidin-5-yl]methyl]piperidine-1-carboxylate;5-[[4-hydroxy-1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]-1-(6-phenyl-3-pyridinyl)pyrazolo[5,4-d]pyrimidin-4-one;1-(6-phenyl-3-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 5-amino-1-(6-bromo-3-pyridinyl)pyrazole-4-carbonitrile;5-amino-1-(6-phenyl-3-pyridinyl)pyrazole-4-carbonitrile;6-bromopyridin-3-amine;(6-bromo-3-pyridinyl)hydrazine;tert-butyl 4-hydroxy-4-[[4-oxo-1-(6-phenyl-3-pyridinyl)pyrazolo[5,4-d]pyrimidin-5-yl]methyl]piperidine-1-carboxylate;5-[[4-hydroxy-1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]-1-(6-phenyl-3-pyridinyl)pyrazolo[5,4-d]pyrimidin-4-one;1-(6-phenyl-3-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
• PubChem CID: 159051312
• Molecular Formula: C101H90Br3F3N32O8
• Molecular Weight: 2176.75 g/mol
• Exact Mass: 2172.51
• IUPAC Name: 5-amino-1-(6-bromo-3-pyridinyl)pyrazole-4-carbonitrile;5-amino-1-(6-phenyl-3-pyridinyl)pyrazole-4-carbonitrile;6-bromopyridin-3-amine;(6-bromo-3-pyridinyl)hydrazine;tert-butyl 4-hydroxy-4-[[4-oxo-1-(6-phenyl-3-pyridinyl)pyrazolo[5,4-d]pyrimidin-5-yl]methyl]piperidine-1-carboxylate;5-[[4-hydroxy-1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]-1-(6-phenyl-3-pyridinyl)pyrazolo[5,4-d]pyrimidin-4-one;1-(6-phenyl-3-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
• SMILES: CC(C)(C)OC(=O)N1CCC(O)(Cn2cnc3c(cnn3-c3ccc(-c4ccccc4)nc3)c2=O)CC1.N#Cc1cnn(-c2ccc(-c3ccccc3)nc2)c1N.N#Cc1cnn(-c2ccc(Br)nc2)c1N.NNc1ccc(Br)nc1.Nc1ccc(Br)nc1.O=C(N1CCC(O)(Cn2cnc3c(cnn3-c3ccc(-c4ccccc4)nc3)c2=O)CC1)C(F)(F)F.O=c1[nH]cnc2c1cnn2-c1ccc(-c2ccccc2)nc1
• InChI: InChI=1S/C27H30N6O4.C24H21F3N6O3.C16H11N5O.C15H11N5.C9H6BrN5.C5H6BrN3.C5H5BrN2/c1-26(2,3)37-25(35)31-13-11-27(36,12-14-31)17-32-18-29-23-21(24(32)34)16-30-33(23)20-9-10-22(28-15-20)19-7-5-4-6-8-19;25-24(26,27)22(35)31-10-8-23(36,9-11-31)14-32-15-29-20-18(21(32)34)13-30-33(20)17-6-7-19(28-12-17)16-4-2-1-3-5-16;22-16-13-9-20-21(15(13)18-10-19-16)12-6-7-14(17-8-12)11-4-2-1-3-5-11;16-8-12-9-19-20(15(12)17)13-6-7-14(18-10-13)11-4-2-1-3-5-11;10-8-2-1-7(5-13-8)15-9(12)6(3-11)4-14-15;6-5-2-1-4(9-7)3-8-5;6-5-2-1-4(7)3-8-5/h4-10,15-16,18,36H,11-14,17H2,1-3H3;1-7,12-13,15,36H,8-11,14H2;1-10H,(H,18,19,22);1-7,9-10H,17H2;1-2,4-5H,12H2;1-3,9H,7H2;1-3H,7H2
• InChIKey: JXHLQWDBAPUDQH-UHFFFAOYSA-N
• XLogP: 14.56
• TPSA: 548.86 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 14
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2176.75
LogP ≤ 5	14.56
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(6-bromo-3-pyridinyl)pyrazole-4-carbonitrile;5-amino-1-(6-phenyl-3-pyridinyl)pyrazole-4-carbonitrile;6-bromopyridin-3-amine;(6-bromo-3-pyridinyl)hydrazine;tert-butyl 4-hydroxy-4-[[4-oxo-1-(6-phenyl-3-pyridinyl)pyrazolo[5,4-d]pyrimidin-5-yl]methyl]piperidine-1-carboxylate;5-[[4-hydroxy-1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]-1-(6-phenyl-3-pyridinyl)pyrazolo[5,4-d]pyrimidin-4-one;1-(6-phenyl-3-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The IUPAC name of 5-amino-1-(6-bromo-3-pyridinyl)pyrazole-4-carbonitrile;5-amino-1-(6-phenyl-3-pyridinyl)pyrazole-4-carbonitrile;6-bromopyridin-3-amine;(6-bromo-3-pyridinyl)hydrazine;tert-butyl 4-hydroxy-4-[[4-oxo-1-(6-phenyl-3-pyridinyl)pyrazolo[5,4-d]pyrimidin-5-yl]methyl]piperidine-1-carboxylate;5-[[4-hydroxy-1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]-1-(6-phenyl-3-pyridinyl)pyrazolo[5,4-d]pyrimidin-4-one;1-(6-phenyl-3-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 159051312) is 5-amino-1-(6-bromo-3-pyridinyl)pyrazole-4-carbonitrile;5-amino-1-(6-phenyl-3-pyridinyl)pyrazole-4-carbonitrile;6-bromopyridin-3-amine;(6-bromo-3-pyridinyl)hydrazine;tert-butyl 4-hydroxy-4-[[4-oxo-1-(6-phenyl-3-pyridinyl)pyrazolo[5,4-d]pyrimidin-5-yl]methyl]piperidine-1-carboxylate;5-[[4-hydroxy-1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]-1-(6-phenyl-3-pyridinyl)pyrazolo[5,4-d]pyrimidin-4-one;1-(6-phenyl-3-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

What is the SMILES notation for 5-amino-1-(6-bromo-3-pyridinyl)pyrazole-4-carbonitrile;5-amino-1-(6-phenyl-3-pyridinyl)pyrazole-4-carbonitrile;6-bromopyridin-3-amine;(6-bromo-3-pyridinyl)hydrazine;tert-butyl 4-hydroxy-4-[[4-oxo-1-(6-phenyl-3-pyridinyl)pyrazolo[5,4-d]pyrimidin-5-yl]methyl]piperidine-1-carboxylate;5-[[4-hydroxy-1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]-1-(6-phenyl-3-pyridinyl)pyrazolo[5,4-d]pyrimidin-4-one;1-(6-phenyl-3-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The canonical SMILES for 5-amino-1-(6-bromo-3-pyridinyl)pyrazole-4-carbonitrile;5-amino-1-(6-phenyl-3-pyridinyl)pyrazole-4-carbonitrile;6-bromopyridin-3-amine;(6-bromo-3-pyridinyl)hydrazine;tert-butyl 4-hydroxy-4-[[4-oxo-1-(6-phenyl-3-pyridinyl)pyrazolo[5,4-d]pyrimidin-5-yl]methyl]piperidine-1-carboxylate;5-[[4-hydroxy-1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]-1-(6-phenyl-3-pyridinyl)pyrazolo[5,4-d]pyrimidin-4-one;1-(6-phenyl-3-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC(C)(C)OC(=O)N1CCC(O)(Cn2cnc3c(cnn3-c3ccc(-c4ccccc4)nc3)c2=O)CC1.N#Cc1cnn(-c2ccc(-c3ccccc3)nc2)c1N.N#Cc1cnn(-c2ccc(Br)nc2)c1N.NNc1ccc(Br)nc1.Nc1ccc(Br)nc1.O=C(N1CCC(O)(Cn2cnc3c(cnn3-c3ccc(-c4ccccc4)nc3)c2=O)CC1)C(F)(F)F.O=c1[nH]cnc2c1cnn2-c1ccc(-c2ccccc2)nc1.

What is the InChIKey of 5-amino-1-(6-bromo-3-pyridinyl)pyrazole-4-carbonitrile;5-amino-1-(6-phenyl-3-pyridinyl)pyrazole-4-carbonitrile;6-bromopyridin-3-amine;(6-bromo-3-pyridinyl)hydrazine;tert-butyl 4-hydroxy-4-[[4-oxo-1-(6-phenyl-3-pyridinyl)pyrazolo[5,4-d]pyrimidin-5-yl]methyl]piperidine-1-carboxylate;5-[[4-hydroxy-1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]-1-(6-phenyl-3-pyridinyl)pyrazolo[5,4-d]pyrimidin-4-one;1-(6-phenyl-3-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The InChIKey is JXHLQWDBAPUDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O4.C24H21F3N6O3.C16H11N5O.C15H11N5.C9H6BrN5.C5H6BrN3.C5H5BrN2/c1-26(2,3)37-25(35)31-13-11-27(36,12-14-31)17-32-18-29-23-21(24(32)34)16-30-33(23)20-9-10-22(28-15-20)19-7-5-4-6-8-19;25-24(26,27)22(35)31-10-8-23(36,9-11-31)14-32-15-29-20-18(21(32)34)13-30-33(20)17-6-7-19(28-12-17)16-4-2-1-3-5-16;22-16-13-9-20-21(15(13)18-10-19-16)12-6-7-14(17-8-12)11-4-2-1-3-5-11;16-8-12-9-19-20(15(12)17)13-6-7-14(18-10-13)11-4-2-1-3-5-11;10-8-2-1-7(5-13-8)15-9(12)6(3-11)4-14-15;6-5-2-1-4(9-7)3-8-5;6-5-2-1-4(7)3-8-5/h4-10,15-16,18,36H,11-14,17H2,1-3H3;1-7,12-13,15,36H,8-11,14H2;1-10H,(H,18,19,22);1-7,9-10H,17H2;1-2,4-5H,12H2;1-3,9H,7H2;1-3H,7H2.

What are the key properties of 5-amino-1-(6-bromo-3-pyridinyl)pyrazole-4-carbonitrile;5-amino-1-(6-phenyl-3-pyridinyl)pyrazole-4-carbonitrile;6-bromopyridin-3-amine;(6-bromo-3-pyridinyl)hydrazine;tert-butyl 4-hydroxy-4-[[4-oxo-1-(6-phenyl-3-pyridinyl)pyrazolo[5,4-d]pyrimidin-5-yl]methyl]piperidine-1-carboxylate;5-[[4-hydroxy-1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]-1-(6-phenyl-3-pyridinyl)pyrazolo[5,4-d]pyrimidin-4-one;1-(6-phenyl-3-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?

5-amino-1-(6-bromo-3-pyridinyl)pyrazole-4-carbonitrile;5-amino-1-(6-phenyl-3-pyridinyl)pyrazole-4-carbonitrile;6-bromopyridin-3-amine;(6-bromo-3-pyridinyl)hydrazine;tert-butyl 4-hydroxy-4-[[4-oxo-1-(6-phenyl-3-pyridinyl)pyrazolo[5,4-d]pyrimidin-5-yl]methyl]piperidine-1-carboxylate;5-[[4-hydroxy-1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]-1-(6-phenyl-3-pyridinyl)pyrazolo[5,4-d]pyrimidin-4-one;1-(6-phenyl-3-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 2176.75 g/mol, XLogP of 14.56, 14 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-1-(6-bromo-3-pyridinyl)pyrazole-4-carbonitrile;5-amino-1-(6-phenyl-3-pyridinyl)pyrazole-4-carbonitrile;6-bromopyridin-3-amine;(6-bromo-3-pyridinyl)hydrazine;tert-butyl 4-hydroxy-4-[[4-oxo-1-(6-phenyl-3-pyridinyl)pyrazolo[5,4-d]pyrimidin-5-yl]methyl]piperidine-1-carboxylate;5-[[4-hydroxy-1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]-1-(6-phenyl-3-pyridinyl)pyrazolo[5,4-d]pyrimidin-4-one;1-(6-phenyl-3-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 159051312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).