1-[4-(2-amino-4-pyridinyl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(3-isocyano-5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(3-methyl-5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;bis(1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one)

C159H149N45O7 — CID 157234288

About 1-[4-(2-amino-4-pyridinyl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(3-isocyano-5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(3-methyl-5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;bis(1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one)

1-[4-(2-amino-4-pyridinyl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(3-isocyano-5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(3-methyl-5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;bis(1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one) (PubChem CID 157234288) has the molecular formula C159H149N45O7 and a molecular weight of 2802.25 g/mol. Its IUPAC name is 1-[4-(2-amino-4-pyridinyl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(3-isocyano-5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(3-methyl-5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;bis(1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one).

Molecular Properties

• Compound Name: 1-[4-(2-amino-4-pyridinyl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(3-isocyano-5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(3-methyl-5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;bis(1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one)
• PubChem CID: 157234288
• Molecular Formula: C159H149N45O7
• Molecular Weight: 2802.25 g/mol
• Exact Mass: 2800.27
• IUPAC Name: 1-[4-(2-amino-4-pyridinyl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(3-isocyano-5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(3-methyl-5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;bis(1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one)
• SMILES: Cc1cc(-c2c(C)nn(CC(=O)Cc3ccc(-c4cnccn4)cn3)c2C)nc(C)n1.Cc1cc(-c2c(C)nn(CC(=O)Cc3ncc(-c4cnccn4)cc3C)c2C)ccn1.Cc1cc(-c2cn(CC(=O)Cc3ccc(-c4cnccn4)cn3)nc2C)ccn1.Cc1cc(-c2cn(CC(=O)Cc3ccc(-c4cncnc4)cn3)nc2C)ccn1.Cc1cc(-c2cn(CC(=O)Cc3ccc(-c4cncnc4)cn3)nc2C)ccn1.Cc1nn(CC(=O)Cc2ccc(-c3cnccn3)cn2)c(C)c1-c1ccnc(N)c1.[C-]#[N+]c1cc(-c2cnccn2)cnc1CC(=O)Cn1nc(C)c(-c2ccnc(C)c2)c1C
• InChI: InChI=1S/C24H21N7O.C24H24N6O.C23H23N7O.C22H21N7O.3C22H20N6O/c1-15-9-18(5-6-27-15)24-16(2)30-31(17(24)3)14-20(32)11-22-21(25-4)10-19(12-29-22)23-13-26-7-8-28-23;1-15-9-20(23-13-25-7-8-27-23)12-28-22(15)11-21(31)14-30-18(4)24(17(3)29-30)19-5-6-26-16(2)10-19;1-14-9-21(28-17(4)27-14)23-15(2)29-30(16(23)3)13-20(31)10-19-6-5-18(11-26-19)22-12-24-7-8-25-22;1-14-22(16-5-6-26-21(23)9-16)15(2)29(28-14)13-19(30)10-18-4-3-17(11-27-18)20-12-24-7-8-25-20;2*1-15-7-17(5-6-25-15)22-13-28(27-16(22)2)12-21(29)8-20-4-3-18(11-26-20)19-9-23-14-24-10-19;1-15-9-17(5-6-24-15)21-14-28(27-16(21)2)13-20(29)10-19-4-3-18(11-26-19)22-12-23-7-8-25-22/h5-10,12-13H,11,14H2,1-3H3;5-10,12-13H,11,14H2,1-4H3;5-9,11-12H,10,13H2,1-4H3;3-9,11-12H,10,13H2,1-2H3,(H2,23,26);2*3-7,9-11,13-14H,8,12H2,1-2H3;3-9,11-12,14H,10,13H2,1-2H3
• InChIKey: AULMZZMFJLZDOU-UHFFFAOYSA-N
• XLogP: 23.65
• TPSA: 648.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 51
• Rotatable Bonds: 42
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2802.25
LogP ≤ 5	23.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-amino-4-pyridinyl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(3-isocyano-5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(3-methyl-5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;bis(1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one)?

The IUPAC name of 1-[4-(2-amino-4-pyridinyl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(3-isocyano-5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(3-methyl-5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;bis(1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one) (CID 157234288) is 1-[4-(2-amino-4-pyridinyl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(3-isocyano-5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(3-methyl-5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;bis(1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one).

What is the SMILES notation for 1-[4-(2-amino-4-pyridinyl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(3-isocyano-5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(3-methyl-5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;bis(1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one)?

The canonical SMILES for 1-[4-(2-amino-4-pyridinyl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(3-isocyano-5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(3-methyl-5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;bis(1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one) is Cc1cc(-c2c(C)nn(CC(=O)Cc3ccc(-c4cnccn4)cn3)c2C)nc(C)n1.Cc1cc(-c2c(C)nn(CC(=O)Cc3ncc(-c4cnccn4)cc3C)c2C)ccn1.Cc1cc(-c2cn(CC(=O)Cc3ccc(-c4cnccn4)cn3)nc2C)ccn1.Cc1cc(-c2cn(CC(=O)Cc3ccc(-c4cncnc4)cn3)nc2C)ccn1.Cc1cc(-c2cn(CC(=O)Cc3ccc(-c4cncnc4)cn3)nc2C)ccn1.Cc1nn(CC(=O)Cc2ccc(-c3cnccn3)cn2)c(C)c1-c1ccnc(N)c1.[C-]#[N+]c1cc(-c2cnccn2)cnc1CC(=O)Cn1nc(C)c(-c2ccnc(C)c2)c1C.

What is the InChIKey of 1-[4-(2-amino-4-pyridinyl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(3-isocyano-5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(3-methyl-5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;bis(1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one)?

The InChIKey is AULMZZMFJLZDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O.C24H24N6O.C23H23N7O.C22H21N7O.3C22H20N6O/c1-15-9-18(5-6-27-15)24-16(2)30-31(17(24)3)14-20(32)11-22-21(25-4)10-19(12-29-22)23-13-26-7-8-28-23;1-15-9-20(23-13-25-7-8-27-23)12-28-22(15)11-21(31)14-30-18(4)24(17(3)29-30)19-5-6-26-16(2)10-19;1-14-9-21(28-17(4)27-14)23-15(2)29-30(16(23)3)13-20(31)10-19-6-5-18(11-26-19)22-12-24-7-8-25-22;1-14-22(16-5-6-26-21(23)9-16)15(2)29(28-14)13-19(30)10-18-4-3-17(11-27-18)20-12-24-7-8-25-20;2*1-15-7-17(5-6-25-15)22-13-28(27-16(22)2)12-21(29)8-20-4-3-18(11-26-20)19-9-23-14-24-10-19;1-15-9-17(5-6-24-15)21-14-28(27-16(21)2)13-20(29)10-19-4-3-18(11-26-19)22-12-23-7-8-25-22/h5-10,12-13H,11,14H2,1-3H3;5-10,12-13H,11,14H2,1-4H3;5-9,11-12H,10,13H2,1-4H3;3-9,11-12H,10,13H2,1-2H3,(H2,23,26);2*3-7,9-11,13-14H,8,12H2,1-2H3;3-9,11-12,14H,10,13H2,1-2H3.

What are the key properties of 1-[4-(2-amino-4-pyridinyl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(3-isocyano-5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(3-methyl-5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;bis(1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one)?

1-[4-(2-amino-4-pyridinyl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(3-isocyano-5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(3-methyl-5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;bis(1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one) has a molecular weight of 2802.25 g/mol, XLogP of 23.65, 42 rotatable bonds, 1 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(2-amino-4-pyridinyl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(3-isocyano-5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(3-methyl-5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;bis(1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one) is sourced from PubChem (CID 157234288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).