3-[6-(4-acetyl-3-fluorophenyl)-3-pyridinyl]-7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2-ethyl-4-pyridinyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-[6-(3H-indol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-[6-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane

C115H135FN28O13 — CID 157487825

About 3-[6-(4-acetyl-3-fluorophenyl)-3-pyridinyl]-7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2-ethyl-4-pyridinyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-[6-(3H-indol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-[6-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane

3-[6-(4-acetyl-3-fluorophenyl)-3-pyridinyl]-7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2-ethyl-4-pyridinyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-[6-(3H-indol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-[6-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane (PubChem CID 157487825) has the molecular formula C115H135FN28O13 and a molecular weight of 2136.53 g/mol. Its IUPAC name is 3-[6-(4-acetyl-3-fluorophenyl)-3-pyridinyl]-7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2-ethyl-4-pyridinyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-[6-(3H-indol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-[6-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane.

Molecular Properties

• Compound Name: 3-[6-(4-acetyl-3-fluorophenyl)-3-pyridinyl]-7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2-ethyl-4-pyridinyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-[6-(3H-indol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-[6-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane
• PubChem CID: 157487825
• Molecular Formula: C115H135FN28O13
• Molecular Weight: 2136.53 g/mol
• Exact Mass: 2135.07
• IUPAC Name: 3-[6-(4-acetyl-3-fluorophenyl)-3-pyridinyl]-7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2-ethyl-4-pyridinyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-[6-(3H-indol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-[6-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane
• SMILES: C.C.C.C.C.C.C.C.C=C1Nc2ccc(-c3ccc(-c4cnn5c(N)c(C=O)c(C6CCN(C(=O)CO)CC6)nc45)cn3)cc2N1.CC(=O)c1ccc(-c2ccc(-c3cnn4c(N)c(C=O)c(C5CCN(C(=O)CO)CC5)nc34)cn2)cc1F.CCc1cc(-c2ccc(-c3cnn4c(N)c(C=O)c(C5CCN(C(=O)CO)CC5)nc34)cn2)ccn1.Nc1c(C=O)c(C2CCN(C(=O)CO)CC2)nc2c(-c3ccc(-c4ccc5c(c4)CC=N5)nc3)cnn12
• InChI: InChI=1S/C27H25FN6O4.C27H26N8O3.C27H25N7O3.C26H27N7O3.8CH4/c1-15(37)19-4-2-17(10-22(19)28)23-5-3-18(11-30-23)20-12-31-34-26(29)21(13-35)25(32-27(20)34)16-6-8-33(9-7-16)24(38)14-36;1-15-31-22-5-2-17(10-23(22)32-15)21-4-3-18(11-29-21)19-12-30-35-26(28)20(13-36)25(33-27(19)35)16-6-8-34(9-7-16)24(38)14-37;28-26-21(14-35)25(16-6-9-33(10-7-16)24(37)15-36)32-27-20(13-31-34(26)27)19-2-4-23(30-12-19)17-1-3-22-18(11-17)5-8-29-22;1-2-19-11-17(5-8-28-19)22-4-3-18(12-29-22)20-13-30-33-25(27)21(14-34)24(31-26(20)33)16-6-9-32(10-7-16)23(36)15-35;;;;;;;;/h2-5,10-13,16,36H,6-9,14,29H2,1H3;2-5,10-13,16,31-32,37H,1,6-9,14,28H2;1-4,8,11-14,16,36H,5-7,9-10,15,28H2;3-5,8,11-14,16,35H,2,6-7,9-10,15,27H2,1H3;8*1H4
• InChIKey: BWXPWQKXMLMJIV-UHFFFAOYSA-N
• XLogP: 16.16
• TPSA: 573.22 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 37
• Rotatable Bonds: 22
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2136.53
LogP ≤ 5	16.16
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-acetyl-3-fluorophenyl)-3-pyridinyl]-7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2-ethyl-4-pyridinyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-[6-(3H-indol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-[6-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane?

The IUPAC name of 3-[6-(4-acetyl-3-fluorophenyl)-3-pyridinyl]-7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2-ethyl-4-pyridinyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-[6-(3H-indol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-[6-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane (CID 157487825) is 3-[6-(4-acetyl-3-fluorophenyl)-3-pyridinyl]-7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2-ethyl-4-pyridinyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-[6-(3H-indol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-[6-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane.

What is the SMILES notation for 3-[6-(4-acetyl-3-fluorophenyl)-3-pyridinyl]-7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2-ethyl-4-pyridinyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-[6-(3H-indol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-[6-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane?

The canonical SMILES for 3-[6-(4-acetyl-3-fluorophenyl)-3-pyridinyl]-7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2-ethyl-4-pyridinyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-[6-(3H-indol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-[6-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane is C.C.C.C.C.C.C.C.C=C1Nc2ccc(-c3ccc(-c4cnn5c(N)c(C=O)c(C6CCN(C(=O)CO)CC6)nc45)cn3)cc2N1.CC(=O)c1ccc(-c2ccc(-c3cnn4c(N)c(C=O)c(C5CCN(C(=O)CO)CC5)nc34)cn2)cc1F.CCc1cc(-c2ccc(-c3cnn4c(N)c(C=O)c(C5CCN(C(=O)CO)CC5)nc34)cn2)ccn1.Nc1c(C=O)c(C2CCN(C(=O)CO)CC2)nc2c(-c3ccc(-c4ccc5c(c4)CC=N5)nc3)cnn12.

What is the InChIKey of 3-[6-(4-acetyl-3-fluorophenyl)-3-pyridinyl]-7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2-ethyl-4-pyridinyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-[6-(3H-indol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-[6-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane?

The InChIKey is BWXPWQKXMLMJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN6O4.C27H26N8O3.C27H25N7O3.C26H27N7O3.8CH4/c1-15(37)19-4-2-17(10-22(19)28)23-5-3-18(11-30-23)20-12-31-34-26(29)21(13-35)25(32-27(20)34)16-6-8-33(9-7-16)24(38)14-36;1-15-31-22-5-2-17(10-23(22)32-15)21-4-3-18(11-29-21)19-12-30-35-26(28)20(13-36)25(33-27(19)35)16-6-8-34(9-7-16)24(38)14-37;28-26-21(14-35)25(16-6-9-33(10-7-16)24(37)15-36)32-27-20(13-31-34(26)27)19-2-4-23(30-12-19)17-1-3-22-18(11-17)5-8-29-22;1-2-19-11-17(5-8-28-19)22-4-3-18(12-29-22)20-13-30-33-25(27)21(14-34)24(31-26(20)33)16-6-9-32(10-7-16)23(36)15-35;;;;;;;;/h2-5,10-13,16,36H,6-9,14,29H2,1H3;2-5,10-13,16,31-32,37H,1,6-9,14,28H2;1-4,8,11-14,16,36H,5-7,9-10,15,28H2;3-5,8,11-14,16,35H,2,6-7,9-10,15,27H2,1H3;8*1H4.

What are the key properties of 3-[6-(4-acetyl-3-fluorophenyl)-3-pyridinyl]-7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2-ethyl-4-pyridinyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-[6-(3H-indol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-[6-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane?

3-[6-(4-acetyl-3-fluorophenyl)-3-pyridinyl]-7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2-ethyl-4-pyridinyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-[6-(3H-indol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-[6-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane has a molecular weight of 2136.53 g/mol, XLogP of 16.16, 22 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-(4-acetyl-3-fluorophenyl)-3-pyridinyl]-7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2-ethyl-4-pyridinyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-[6-(3H-indol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-[6-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane is sourced from PubChem (CID 157487825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).