7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-5-[1-(2-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;1-[7-amino-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;methane

C113H115N37O13 — CID 158931892

About 7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-5-[1-(2-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;1-[7-amino-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;methane

7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-5-[1-(2-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;1-[7-amino-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;methane (PubChem CID 158931892) has the molecular formula C113H115N37O13 and a molecular weight of 2199.41 g/mol. Its IUPAC name is 7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-5-[1-(2-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;1-[7-amino-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;methane.

Molecular Properties

• Compound Name: 7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-5-[1-(2-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;1-[7-amino-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;methane
• PubChem CID: 158931892
• Molecular Formula: C113H115N37O13
• Molecular Weight: 2199.41 g/mol
• Exact Mass: 2197.95
• IUPAC Name: 7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-5-[1-(2-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;1-[7-amino-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;methane
• SMILES: C.C.C.CC(=O)c1c(C2CCN(C(=O)c3ncn[nH]3)CC2)nc2c(-c3ccc(-c4ccn(C)n4)nc3)cnn2c1N.COc1ccc(-c2ccc(-c3cnn4c(N)c(C=O)c(C5CCN(C(=O)c6ncc[nH]c6=O)CC5)nc34)cn2)cc1OC.COc1ccc(-c2ccc(-c3cnn4c(N)c(C=O)c(C5CCN(C(=O)c6ncn[nH]6)CC5)nc34)cn2)cc1.Nc1c(C=O)c(C2CCN(C(=O)c3ncn[nH]3)CC2)nc2c(-c3ccc(-c4ccc5c(c4)CCO5)nc3)cnn12
• InChI: InChI=1S/C30H28N8O5.C28H25N9O3.C27H25N9O3.C25H25N11O2.3CH4/c1-42-23-6-4-18(13-24(23)43-2)22-5-3-19(14-34-22)20-15-35-38-27(31)21(16-39)25(36-28(20)38)17-7-11-37(12-8-17)30(41)26-29(40)33-10-9-32-26;29-25-21(14-38)24(16-5-8-36(9-6-16)28(39)26-31-15-32-35-26)34-27-20(13-33-37(25)27)19-1-3-22(30-12-19)17-2-4-23-18(11-17)7-10-40-23;1-39-19-5-2-16(3-6-19)22-7-4-18(12-29-22)20-13-32-36-24(28)21(14-37)23(33-26(20)36)17-8-10-35(11-9-17)27(38)25-30-15-31-34-25;1-14(37)20-21(15-5-9-35(10-6-15)25(38)23-28-13-29-32-23)31-24-17(12-30-36(24)22(20)26)16-3-4-18(27-11-16)19-7-8-34(2)33-19;;;/h3-6,9-10,13-17H,7-8,11-12,31H2,1-2H3,(H,33,40);1-4,11-16H,5-10,29H2,(H,31,32,35);2-7,12-15,17H,8-11,28H2,1H3,(H,30,31,34);3-4,7-8,11-13,15H,5-6,9-10,26H2,1-2H3,(H,28,29,32);3*1H4
• InChIKey: JJDYWRKCWBWQOW-UHFFFAOYSA-N
• XLogP: 12.92
• TPSA: 651.12 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 42
• Rotatable Bonds: 23
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2199.41
LogP ≤ 5	12.92
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-5-[1-(2-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;1-[7-amino-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;methane?

The IUPAC name of 7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-5-[1-(2-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;1-[7-amino-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;methane (CID 158931892) is 7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-5-[1-(2-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;1-[7-amino-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;methane.

What is the SMILES notation for 7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-5-[1-(2-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;1-[7-amino-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;methane?

The canonical SMILES for 7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-5-[1-(2-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;1-[7-amino-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;methane is C.C.C.CC(=O)c1c(C2CCN(C(=O)c3ncn[nH]3)CC2)nc2c(-c3ccc(-c4ccn(C)n4)nc3)cnn2c1N.COc1ccc(-c2ccc(-c3cnn4c(N)c(C=O)c(C5CCN(C(=O)c6ncc[nH]c6=O)CC5)nc34)cn2)cc1OC.COc1ccc(-c2ccc(-c3cnn4c(N)c(C=O)c(C5CCN(C(=O)c6ncn[nH]6)CC5)nc34)cn2)cc1.Nc1c(C=O)c(C2CCN(C(=O)c3ncn[nH]3)CC2)nc2c(-c3ccc(-c4ccc5c(c4)CCO5)nc3)cnn12.

What is the InChIKey of 7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-5-[1-(2-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;1-[7-amino-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;methane?

The InChIKey is JJDYWRKCWBWQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N8O5.C28H25N9O3.C27H25N9O3.C25H25N11O2.3CH4/c1-42-23-6-4-18(13-24(23)43-2)22-5-3-19(14-34-22)20-15-35-38-27(31)21(16-39)25(36-28(20)38)17-7-11-37(12-8-17)30(41)26-29(40)33-10-9-32-26;29-25-21(14-38)24(16-5-8-36(9-6-16)28(39)26-31-15-32-35-26)34-27-20(13-33-37(25)27)19-1-3-22(30-12-19)17-2-4-23-18(11-17)7-10-40-23;1-39-19-5-2-16(3-6-19)22-7-4-18(12-29-22)20-13-32-36-24(28)21(14-37)23(33-26(20)36)17-8-10-35(11-9-17)27(38)25-30-15-31-34-25;1-14(37)20-21(15-5-9-35(10-6-15)25(38)23-28-13-29-32-23)31-24-17(12-30-36(24)22(20)26)16-3-4-18(27-11-16)19-7-8-34(2)33-19;;;/h3-6,9-10,13-17H,7-8,11-12,31H2,1-2H3,(H,33,40);1-4,11-16H,5-10,29H2,(H,31,32,35);2-7,12-15,17H,8-11,28H2,1H3,(H,30,31,34);3-4,7-8,11-13,15H,5-6,9-10,26H2,1-2H3,(H,28,29,32);3*1H4.

What are the key properties of 7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-5-[1-(2-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;1-[7-amino-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;methane?

7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-5-[1-(2-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;1-[7-amino-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;methane has a molecular weight of 2199.41 g/mol, XLogP of 12.92, 23 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-5-[1-(2-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;1-[7-amino-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;methane is sourced from PubChem (CID 158931892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).