7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-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-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[(4R)-2-oxoimidazolidine-4-carbonyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane

C116H128N32O11 — CID 158556246

About 7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-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-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[(4R)-2-oxoimidazolidine-4-carbonyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane

7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-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-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[(4R)-2-oxoimidazolidine-4-carbonyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane (PubChem CID 158556246) has the molecular formula C116H128N32O11 and a molecular weight of 2146.51 g/mol. Its IUPAC name is 7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-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-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[(4R)-2-oxoimidazolidine-4-carbonyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane.

Molecular Properties

• Compound Name: 7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-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-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[(4R)-2-oxoimidazolidine-4-carbonyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane
• PubChem CID: 158556246
• Molecular Formula: C116H128N32O11
• Molecular Weight: 2146.51 g/mol
• Exact Mass: 2145.04
• IUPAC Name: 7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-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-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[(4R)-2-oxoimidazolidine-4-carbonyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane
• SMILES: C.C.C.C.CCc1cc(-c2ccc(-c3cnn4c(N)c(C=O)c(C5CCN(C(=O)c6ncn[nH]6)CC5)nc34)cn2)ccc1OC.CCc1cccc(-c2ccc(-c3cnn4c(N)c(C=O)c(C5CCN(C(=O)[C@@H](C)O)CC5)nc34)cn2)c1.CCc1cccc(-c2ccc(-c3cnn4c(N)c(C=O)c(C5CCN(C(=O)c6ncn[nH]6)CC5)nc34)cn2)c1.Nc1c(C=O)c(C2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12
• InChI: InChI=1S/C29H29N9O3.C28H27N9O2.C28H30N6O3.C27H26N8O3.4CH4/c1-3-17-12-19(5-7-24(17)41-2)23-6-4-20(13-31-23)21-14-34-38-26(30)22(15-39)25(35-28(21)38)18-8-10-37(11-9-18)29(40)27-32-16-33-36-27;1-2-17-4-3-5-19(12-17)23-7-6-20(13-30-23)21-14-33-37-25(29)22(15-38)24(34-27(21)37)18-8-10-36(11-9-18)28(39)26-31-16-32-35-26;1-3-18-5-4-6-20(13-18)24-8-7-21(14-30-24)22-15-31-34-26(29)23(16-35)25(32-27(22)34)19-9-11-33(12-10-19)28(37)17(2)36;28-24-20(15-36)23(17-8-10-34(11-9-17)26(37)22-14-30-27(38)32-22)33-25-19(13-31-35(24)25)18-6-7-21(29-12-18)16-4-2-1-3-5-16;;;;/h4-7,12-16,18H,3,8-11,30H2,1-2H3,(H,32,33,36);3-7,12-16,18H,2,8-11,29H2,1H3,(H,31,32,35);4-8,13-17,19,36H,3,9-12,29H2,1-2H3;1-7,12-13,15,17,22H,8-11,14,28H2,(H2,30,32,38);4*1H4/t;;17-;22-;;;;/m..11..../s1
• InChIKey: HQIHERXOVRIDHH-PYDVJYRKSA-N
• XLogP: 15.40
• TPSA: 579.65 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 35
• Rotatable Bonds: 24
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2146.51
LogP ≤ 5	15.40
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-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-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[(4R)-2-oxoimidazolidine-4-carbonyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane?

The IUPAC name of 7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-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-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[(4R)-2-oxoimidazolidine-4-carbonyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane (CID 158556246) is 7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-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-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[(4R)-2-oxoimidazolidine-4-carbonyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane.

What is the SMILES notation for 7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-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-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[(4R)-2-oxoimidazolidine-4-carbonyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane?

The canonical SMILES for 7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-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-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[(4R)-2-oxoimidazolidine-4-carbonyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane is C.C.C.C.CCc1cc(-c2ccc(-c3cnn4c(N)c(C=O)c(C5CCN(C(=O)c6ncn[nH]6)CC5)nc34)cn2)ccc1OC.CCc1cccc(-c2ccc(-c3cnn4c(N)c(C=O)c(C5CCN(C(=O)[C@@H](C)O)CC5)nc34)cn2)c1.CCc1cccc(-c2ccc(-c3cnn4c(N)c(C=O)c(C5CCN(C(=O)c6ncn[nH]6)CC5)nc34)cn2)c1.Nc1c(C=O)c(C2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.

What is the InChIKey of 7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-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-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[(4R)-2-oxoimidazolidine-4-carbonyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane?

The InChIKey is HQIHERXOVRIDHH-PYDVJYRKSA-N. The full InChI is InChI=1S/C29H29N9O3.C28H27N9O2.C28H30N6O3.C27H26N8O3.4CH4/c1-3-17-12-19(5-7-24(17)41-2)23-6-4-20(13-31-23)21-14-34-38-26(30)22(15-39)25(35-28(21)38)18-8-10-37(11-9-18)29(40)27-32-16-33-36-27;1-2-17-4-3-5-19(12-17)23-7-6-20(13-30-23)21-14-33-37-25(29)22(15-38)24(34-27(21)37)18-8-10-36(11-9-18)28(39)26-31-16-32-35-26;1-3-18-5-4-6-20(13-18)24-8-7-21(14-30-24)22-15-31-34-26(29)23(16-35)25(32-27(22)34)19-9-11-33(12-10-19)28(37)17(2)36;28-24-20(15-36)23(17-8-10-34(11-9-17)26(37)22-14-30-27(38)32-22)33-25-19(13-31-35(24)25)18-6-7-21(29-12-18)16-4-2-1-3-5-16;;;;/h4-7,12-16,18H,3,8-11,30H2,1-2H3,(H,32,33,36);3-7,12-16,18H,2,8-11,29H2,1H3,(H,31,32,35);4-8,13-17,19,36H,3,9-12,29H2,1-2H3;1-7,12-13,15,17,22H,8-11,14,28H2,(H2,30,32,38);4*1H4/t;;17-;22-;;;;/m..11..../s1.

What are the key properties of 7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-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-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[(4R)-2-oxoimidazolidine-4-carbonyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane?

7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-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-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[(4R)-2-oxoimidazolidine-4-carbonyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane has a molecular weight of 2146.51 g/mol, XLogP of 15.40, 24 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-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-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[(4R)-2-oxoimidazolidine-4-carbonyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane is sourced from PubChem (CID 158556246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).