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

C₁₂₀H₁₂₆N₂₈O₁₇ — CID 159833001

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

7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-5-[1-(4-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;1-[7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-[6-(1-oxo-2,3-dihydroinden-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane (PubChem CID 159833001) has the molecular formula C₁₂₀H₁₂₆N₂₈O₁₇ and a molecular weight of 2232.51 g/mol. Its IUPAC name is 7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-5-[1-(4-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;1-[7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-[6-(1-oxo-2,3-dihydroinden-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane.

Molecular Properties

• Compound Name: 7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-5-[1-(4-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;1-[7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-[6-(1-oxo-2,3-dihydroinden-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane
• PubChem CID: 159833001
• Molecular Formula: C₁₂₀H₁₂₆N₂₈O₁₇
• Molecular Weight: 2232.51 g/mol
• Exact Mass: 2230.99
• IUPAC Name: 7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-5-[1-(4-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;1-[7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-[6-(1-oxo-2,3-dihydroinden-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane
• SMILES: C.C.C.COc1ccc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)c6ncn[nH]6)CC5)nc34)cn2)cc1OC.COc1ccc(-c2ccc(-c3cnn4c(N)c(C=O)c(C5CCN(C(=O)c6c[nH]ccc6=O)CC5)nc34)cn2)cc1OC.C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccc6c(c5)CCC6=O)nc4)cnn3c(N)c2C=O)CC1.C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccc6c(c5)CCO6)nc4)cnn3c(N)c2C=O)CC1
• InChI: InChI=1S/C31H29N7O5.C29H29N9O4.C29H28N6O4.C28H28N6O4.3CH4/c1-42-26-6-4-19(13-27(26)43-2)24-5-3-20(14-34-24)21-16-35-38-29(32)23(17-39)28(36-30(21)38)18-8-11-37(12-9-18)31(41)22-15-33-10-7-25(22)40;1-16(39)24-25(17-8-10-37(11-9-17)29(40)27-32-15-33-36-27)35-28-20(14-34-38(28)26(24)30)19-4-6-21(31-13-19)18-5-7-22(41-2)23(12-18)42-3;1-16(37)29(39)34-10-8-17(9-11-34)26-23(15-36)27(30)35-28(33-26)22(14-32-35)20-3-6-24(31-13-20)19-2-5-21-18(12-19)4-7-25(21)38;1-16(36)28(37)33-9-6-17(7-10-33)25-22(15-35)26(29)34-27(32-25)21(14-31-34)20-2-4-23(30-13-20)18-3-5-24-19(12-18)8-11-38-24;;;/h3-7,10,13-18H,8-9,11-12,32H2,1-2H3,(H,33,40);4-7,12-15,17H,8-11,30H2,1-3H3,(H,32,33,36);2-3,5-6,12-17,37H,4,7-11,30H2,1H3;2-5,12-17,36H,6-11,29H2,1H3;3*1H4/t;;2*16-;;;/m..11.../s1
• InChIKey: NNRUGMDIVZAARJ-KWSIOIBVSA-N
• XLogP: 14.83
• TPSA: 604.03 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 39
• Rotatable Bonds: 24
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2232.51
LogP ≤ 5	14.83
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	39

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-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-5-[1-(4-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;1-[7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-[6-(1-oxo-2,3-dihydroinden-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane?

The IUPAC name of 7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-5-[1-(4-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;1-[7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-[6-(1-oxo-2,3-dihydroinden-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane (CID 159833001) is 7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-5-[1-(4-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;1-[7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-[6-(1-oxo-2,3-dihydroinden-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane.

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

The canonical SMILES for 7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-5-[1-(4-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;1-[7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-[6-(1-oxo-2,3-dihydroinden-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane is C.C.C.COc1ccc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)c6ncn[nH]6)CC5)nc34)cn2)cc1OC.COc1ccc(-c2ccc(-c3cnn4c(N)c(C=O)c(C5CCN(C(=O)c6c[nH]ccc6=O)CC5)nc34)cn2)cc1OC.C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccc6c(c5)CCC6=O)nc4)cnn3c(N)c2C=O)CC1.C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccc6c(c5)CCO6)nc4)cnn3c(N)c2C=O)CC1.

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

The InChIKey is NNRUGMDIVZAARJ-KWSIOIBVSA-N. The full InChI is InChI=1S/C31H29N7O5.C29H29N9O4.C29H28N6O4.C28H28N6O4.3CH4/c1-42-26-6-4-19(13-27(26)43-2)24-5-3-20(14-34-24)21-16-35-38-29(32)23(17-39)28(36-30(21)38)18-8-11-37(12-9-18)31(41)22-15-33-10-7-25(22)40;1-16(39)24-25(17-8-10-37(11-9-17)29(40)27-32-15-33-36-27)35-28-20(14-34-38(28)26(24)30)19-4-6-21(31-13-19)18-5-7-22(41-2)23(12-18)42-3;1-16(37)29(39)34-10-8-17(9-11-34)26-23(15-36)27(30)35-28(33-26)22(14-32-35)20-3-6-24(31-13-20)19-2-5-21-18(12-19)4-7-25(21)38;1-16(36)28(37)33-9-6-17(7-10-33)25-22(15-35)26(29)34-27(32-25)21(14-31-34)20-2-4-23(30-13-20)18-3-5-24-19(12-18)8-11-38-24;;;/h3-7,10,13-18H,8-9,11-12,32H2,1-2H3,(H,33,40);4-7,12-15,17H,8-11,30H2,1-3H3,(H,32,33,36);2-3,5-6,12-17,37H,4,7-11,30H2,1H3;2-5,12-17,36H,6-11,29H2,1H3;3*1H4/t;;2*16-;;;/m..11.../s1.

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

7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-5-[1-(4-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;1-[7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-[6-(1-oxo-2,3-dihydroinden-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane has a molecular weight of 2232.51 g/mol, XLogP of 14.83, 24 rotatable bonds, 8 hydrogen bond donors, and 39 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-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-5-[1-(4-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;1-[7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-[6-(1-oxo-2,3-dihydroinden-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane is sourced from PubChem (CID 159833001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159833001 — identifiers, structure, computed properties (public domain)

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