4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-pyridin-4-ylbenzamide;(E)-3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-methylpiperidin-1-yl]prop-2-en-1-one;3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-phenylpiperidin-1-yl]propan-1-one;(E)-3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-phenylpiperidin-1-yl]prop-2-en-1-one;3-[3-oxo-3-[(3R)-3-phenylpiperidin-1-yl]propyl]-2,5-dihydropyrazolo[4,3-c]pyridin-4-one

C104H116N22O9 — CID 161275867

About 4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-pyridin-4-ylbenzamide;(E)-3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-methylpiperidin-1-yl]prop-2-en-1-one;3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-phenylpiperidin-1-yl]propan-1-one;(E)-3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-phenylpiperidin-1-yl]prop-2-en-1-one;3-[3-oxo-3-[(3R)-3-phenylpiperidin-1-yl]propyl]-2,5-dihydropyrazolo[4,3-c]pyridin-4-one

4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-pyridin-4-ylbenzamide;(E)-3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-methylpiperidin-1-yl]prop-2-en-1-one;3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-phenylpiperidin-1-yl]propan-1-one;(E)-3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-phenylpiperidin-1-yl]prop-2-en-1-one;3-[3-oxo-3-[(3R)-3-phenylpiperidin-1-yl]propyl]-2,5-dihydropyrazolo[4,3-c]pyridin-4-one (PubChem CID 161275867) has the molecular formula C104H116N22O9 and a molecular weight of 1818.22 g/mol. Its IUPAC name is 4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-pyridin-4-ylbenzamide;(E)-3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-methylpiperidin-1-yl]prop-2-en-1-one;3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-phenylpiperidin-1-yl]propan-1-one;(E)-3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-phenylpiperidin-1-yl]prop-2-en-1-one;3-[3-oxo-3-[(3R)-3-phenylpiperidin-1-yl]propyl]-2,5-dihydropyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

• Compound Name: 4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-pyridin-4-ylbenzamide;(E)-3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-methylpiperidin-1-yl]prop-2-en-1-one;3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-phenylpiperidin-1-yl]propan-1-one;(E)-3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-phenylpiperidin-1-yl]prop-2-en-1-one;3-[3-oxo-3-[(3R)-3-phenylpiperidin-1-yl]propyl]-2,5-dihydropyrazolo[4,3-c]pyridin-4-one
• PubChem CID: 161275867
• Molecular Formula: C104H116N22O9
• Molecular Weight: 1818.22 g/mol
• Exact Mass: 1816.93
• IUPAC Name: 4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-pyridin-4-ylbenzamide;(E)-3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-methylpiperidin-1-yl]prop-2-en-1-one;3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-phenylpiperidin-1-yl]propan-1-one;(E)-3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-phenylpiperidin-1-yl]prop-2-en-1-one;3-[3-oxo-3-[(3R)-3-phenylpiperidin-1-yl]propyl]-2,5-dihydropyrazolo[4,3-c]pyridin-4-one
• SMILES: COc1nccc2n[nH]c(/C=C/C(=O)N3CCC[C@@H](C)C3)c12.COc1nccc2n[nH]c(/C=C/C(=O)N3CCC[C@H](c4ccccc4)C3)c12.COc1nccc2n[nH]c(CCC(=O)N3CCC[C@H](c4ccccc4)C3)c12.O=C(CCc1[nH]nc2cc[nH]c(=O)c12)N1CCC[C@H](c2ccccc2)C1.O=C(Nc1ccncc1)c1ccc(CCc2[nH]nc3ccnc(NC4CCCCC4)c23)cc1
• InChI: InChI=1S/C26H28N6O.C21H24N4O2.C21H22N4O2.C20H22N4O2.C16H20N4O2/c33-26(30-21-12-15-27-16-13-21)19-9-6-18(7-10-19)8-11-22-24-23(32-31-22)14-17-28-25(24)29-20-4-2-1-3-5-20;2*1-27-21-20-17(23-24-18(20)11-12-22-21)9-10-19(26)25-13-5-8-16(14-25)15-6-3-2-4-7-15;25-18(9-8-16-19-17(23-22-16)10-11-21-20(19)26)24-12-4-7-15(13-24)14-5-2-1-3-6-14;1-11-4-3-9-20(10-11)14(21)6-5-12-15-13(19-18-12)7-8-17-16(15)22-2/h6-7,9-10,12-17,20H,1-5,8,11H2,(H,28,29)(H,31,32)(H,27,30,33);2-4,6-7,11-12,16H,5,8-10,13-14H2,1H3,(H,23,24);2-4,6-7,9-12,16H,5,8,13-14H2,1H3,(H,23,24);1-3,5-6,10-11,15H,4,7-9,12-13H2,(H,21,26)(H,22,23);5-8,11H,3-4,9-10H2,1-2H3,(H,18,19)/b;;10-9+;;6-5+/t;2*16-;15-;11-/m.0001/s1
• InChIKey: VEKWNTZJXQMRQN-IOXAZJSPSA-N
• XLogP: 16.65
• TPSA: 390.77 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 23
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1818.22
LogP ≤ 5	16.65
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-pyridin-4-ylbenzamide;(E)-3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-methylpiperidin-1-yl]prop-2-en-1-one;3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-phenylpiperidin-1-yl]propan-1-one;(E)-3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-phenylpiperidin-1-yl]prop-2-en-1-one;3-[3-oxo-3-[(3R)-3-phenylpiperidin-1-yl]propyl]-2,5-dihydropyrazolo[4,3-c]pyridin-4-one?

The IUPAC name of 4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-pyridin-4-ylbenzamide;(E)-3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-methylpiperidin-1-yl]prop-2-en-1-one;3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-phenylpiperidin-1-yl]propan-1-one;(E)-3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-phenylpiperidin-1-yl]prop-2-en-1-one;3-[3-oxo-3-[(3R)-3-phenylpiperidin-1-yl]propyl]-2,5-dihydropyrazolo[4,3-c]pyridin-4-one (CID 161275867) is 4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-pyridin-4-ylbenzamide;(E)-3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-methylpiperidin-1-yl]prop-2-en-1-one;3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-phenylpiperidin-1-yl]propan-1-one;(E)-3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-phenylpiperidin-1-yl]prop-2-en-1-one;3-[3-oxo-3-[(3R)-3-phenylpiperidin-1-yl]propyl]-2,5-dihydropyrazolo[4,3-c]pyridin-4-one.

What is the SMILES notation for 4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-pyridin-4-ylbenzamide;(E)-3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-methylpiperidin-1-yl]prop-2-en-1-one;3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-phenylpiperidin-1-yl]propan-1-one;(E)-3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-phenylpiperidin-1-yl]prop-2-en-1-one;3-[3-oxo-3-[(3R)-3-phenylpiperidin-1-yl]propyl]-2,5-dihydropyrazolo[4,3-c]pyridin-4-one?

The canonical SMILES for 4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-pyridin-4-ylbenzamide;(E)-3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-methylpiperidin-1-yl]prop-2-en-1-one;3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-phenylpiperidin-1-yl]propan-1-one;(E)-3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-phenylpiperidin-1-yl]prop-2-en-1-one;3-[3-oxo-3-[(3R)-3-phenylpiperidin-1-yl]propyl]-2,5-dihydropyrazolo[4,3-c]pyridin-4-one is COc1nccc2n[nH]c(/C=C/C(=O)N3CCC[C@@H](C)C3)c12.COc1nccc2n[nH]c(/C=C/C(=O)N3CCC[C@H](c4ccccc4)C3)c12.COc1nccc2n[nH]c(CCC(=O)N3CCC[C@H](c4ccccc4)C3)c12.O=C(CCc1[nH]nc2cc[nH]c(=O)c12)N1CCC[C@H](c2ccccc2)C1.O=C(Nc1ccncc1)c1ccc(CCc2[nH]nc3ccnc(NC4CCCCC4)c23)cc1.

What is the InChIKey of 4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-pyridin-4-ylbenzamide;(E)-3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-methylpiperidin-1-yl]prop-2-en-1-one;3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-phenylpiperidin-1-yl]propan-1-one;(E)-3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-phenylpiperidin-1-yl]prop-2-en-1-one;3-[3-oxo-3-[(3R)-3-phenylpiperidin-1-yl]propyl]-2,5-dihydropyrazolo[4,3-c]pyridin-4-one?

The InChIKey is VEKWNTZJXQMRQN-IOXAZJSPSA-N. The full InChI is InChI=1S/C26H28N6O.C21H24N4O2.C21H22N4O2.C20H22N4O2.C16H20N4O2/c33-26(30-21-12-15-27-16-13-21)19-9-6-18(7-10-19)8-11-22-24-23(32-31-22)14-17-28-25(24)29-20-4-2-1-3-5-20;2*1-27-21-20-17(23-24-18(20)11-12-22-21)9-10-19(26)25-13-5-8-16(14-25)15-6-3-2-4-7-15;25-18(9-8-16-19-17(23-22-16)10-11-21-20(19)26)24-12-4-7-15(13-24)14-5-2-1-3-6-14;1-11-4-3-9-20(10-11)14(21)6-5-12-15-13(19-18-12)7-8-17-16(15)22-2/h6-7,9-10,12-17,20H,1-5,8,11H2,(H,28,29)(H,31,32)(H,27,30,33);2-4,6-7,11-12,16H,5,8-10,13-14H2,1H3,(H,23,24);2-4,6-7,9-12,16H,5,8,13-14H2,1H3,(H,23,24);1-3,5-6,10-11,15H,4,7-9,12-13H2,(H,21,26)(H,22,23);5-8,11H,3-4,9-10H2,1-2H3,(H,18,19)/b;;10-9+;;6-5+/t;2*16-;15-;11-/m.0001/s1.

What are the key properties of 4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-pyridin-4-ylbenzamide;(E)-3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-methylpiperidin-1-yl]prop-2-en-1-one;3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-phenylpiperidin-1-yl]propan-1-one;(E)-3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-phenylpiperidin-1-yl]prop-2-en-1-one;3-[3-oxo-3-[(3R)-3-phenylpiperidin-1-yl]propyl]-2,5-dihydropyrazolo[4,3-c]pyridin-4-one?

4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-pyridin-4-ylbenzamide;(E)-3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-methylpiperidin-1-yl]prop-2-en-1-one;3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-phenylpiperidin-1-yl]propan-1-one;(E)-3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-phenylpiperidin-1-yl]prop-2-en-1-one;3-[3-oxo-3-[(3R)-3-phenylpiperidin-1-yl]propyl]-2,5-dihydropyrazolo[4,3-c]pyridin-4-one has a molecular weight of 1818.22 g/mol, XLogP of 16.65, 23 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-pyridin-4-ylbenzamide;(E)-3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-methylpiperidin-1-yl]prop-2-en-1-one;3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-phenylpiperidin-1-yl]propan-1-one;(E)-3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-phenylpiperidin-1-yl]prop-2-en-1-one;3-[3-oxo-3-[(3R)-3-phenylpiperidin-1-yl]propyl]-2,5-dihydropyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 161275867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).