2-[6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol;3-(6-piperazin-1-ylpyridazin-3-yl)naphthalene-2,7-diol;2-(6-piperidin-4-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol;5-pyrazol-1-yl-2-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]phenol;3-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]naphthalen-2-ol

C92H91N23O6 — CID 159162301

About 2-[6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol;3-(6-piperazin-1-ylpyridazin-3-yl)naphthalene-2,7-diol;2-(6-piperidin-4-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol;5-pyrazol-1-yl-2-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]phenol;3-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]naphthalen-2-ol

2-[6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol;3-(6-piperazin-1-ylpyridazin-3-yl)naphthalene-2,7-diol;2-(6-piperidin-4-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol;5-pyrazol-1-yl-2-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]phenol;3-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]naphthalen-2-ol (PubChem CID 159162301) has the molecular formula C92H91N23O6 and a molecular weight of 1614.89 g/mol. Its IUPAC name is 2-[6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol;3-(6-piperazin-1-ylpyridazin-3-yl)naphthalene-2,7-diol;2-(6-piperidin-4-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol;5-pyrazol-1-yl-2-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]phenol;3-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]naphthalen-2-ol.

Molecular Properties

• Compound Name: 2-[6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol;3-(6-piperazin-1-ylpyridazin-3-yl)naphthalene-2,7-diol;2-(6-piperidin-4-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol;5-pyrazol-1-yl-2-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]phenol;3-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]naphthalen-2-ol
• PubChem CID: 159162301
• Molecular Formula: C92H91N23O6
• Molecular Weight: 1614.89 g/mol
• Exact Mass: 1613.75
• IUPAC Name: 2-[6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol;3-(6-piperazin-1-ylpyridazin-3-yl)naphthalene-2,7-diol;2-(6-piperidin-4-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol;5-pyrazol-1-yl-2-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]phenol;3-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]naphthalen-2-ol
• SMILES: Oc1cc(-n2cccn2)ccc1-c1ccc(C2=CCNCC2)nn1.Oc1cc(-n2cccn2)ccc1-c1ccc(C2CCNCC2)nn1.Oc1cc(-n2cccn2)ccc1-c1ccc(N2C[C@H]3CNC[C@H]3C2)nn1.Oc1cc2ccccc2cc1-c1ccc(C2=CCNCC2)nn1.Oc1ccc2cc(-c3ccc(N4CCNCC4)nn3)c(O)cc2c1
• InChI: InChI=1S/C19H20N6O.C19H17N3O.C18H19N5O.C18H17N5O.C18H18N4O2/c26-18-8-15(25-7-1-6-21-25)2-3-16(18)17-4-5-19(23-22-17)24-11-13-9-20-10-14(13)12-24;23-19-12-15-4-2-1-3-14(15)11-16(19)18-6-5-17(21-22-18)13-7-9-20-10-8-13;2*24-18-12-14(23-11-1-8-20-23)2-3-15(18)17-5-4-16(21-22-17)13-6-9-19-10-7-13;23-14-2-1-12-10-15(17(24)11-13(12)9-14)16-3-4-18(21-20-16)22-7-5-19-6-8-22/h1-8,13-14,20,26H,9-12H2;1-7,11-12,20,23H,8-10H2;1-5,8,11-13,19,24H,6-7,9-10H2;1-6,8,11-12,19,24H,7,9-10H2;1-4,9-11,19,23-24H,5-8H2/t13-,14+
• InChIKey: KKQJPNLLLLBLGK-LSZCJTLMSA-N
• XLogP: 12.10
• TPSA: 370.37 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 29
• Rotatable Bonds: 13
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1614.89
LogP ≤ 5	12.10
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol;3-(6-piperazin-1-ylpyridazin-3-yl)naphthalene-2,7-diol;2-(6-piperidin-4-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol;5-pyrazol-1-yl-2-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]phenol;3-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]naphthalen-2-ol?

The IUPAC name of 2-[6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol;3-(6-piperazin-1-ylpyridazin-3-yl)naphthalene-2,7-diol;2-(6-piperidin-4-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol;5-pyrazol-1-yl-2-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]phenol;3-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]naphthalen-2-ol (CID 159162301) is 2-[6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol;3-(6-piperazin-1-ylpyridazin-3-yl)naphthalene-2,7-diol;2-(6-piperidin-4-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol;5-pyrazol-1-yl-2-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]phenol;3-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]naphthalen-2-ol.

What is the SMILES notation for 2-[6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol;3-(6-piperazin-1-ylpyridazin-3-yl)naphthalene-2,7-diol;2-(6-piperidin-4-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol;5-pyrazol-1-yl-2-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]phenol;3-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]naphthalen-2-ol?

The canonical SMILES for 2-[6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol;3-(6-piperazin-1-ylpyridazin-3-yl)naphthalene-2,7-diol;2-(6-piperidin-4-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol;5-pyrazol-1-yl-2-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]phenol;3-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]naphthalen-2-ol is Oc1cc(-n2cccn2)ccc1-c1ccc(C2=CCNCC2)nn1.Oc1cc(-n2cccn2)ccc1-c1ccc(C2CCNCC2)nn1.Oc1cc(-n2cccn2)ccc1-c1ccc(N2C[C@H]3CNC[C@H]3C2)nn1.Oc1cc2ccccc2cc1-c1ccc(C2=CCNCC2)nn1.Oc1ccc2cc(-c3ccc(N4CCNCC4)nn3)c(O)cc2c1.

What is the InChIKey of 2-[6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol;3-(6-piperazin-1-ylpyridazin-3-yl)naphthalene-2,7-diol;2-(6-piperidin-4-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol;5-pyrazol-1-yl-2-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]phenol;3-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]naphthalen-2-ol?

The InChIKey is KKQJPNLLLLBLGK-LSZCJTLMSA-N. The full InChI is InChI=1S/C19H20N6O.C19H17N3O.C18H19N5O.C18H17N5O.C18H18N4O2/c26-18-8-15(25-7-1-6-21-25)2-3-16(18)17-4-5-19(23-22-17)24-11-13-9-20-10-14(13)12-24;23-19-12-15-4-2-1-3-14(15)11-16(19)18-6-5-17(21-22-18)13-7-9-20-10-8-13;2*24-18-12-14(23-11-1-8-20-23)2-3-15(18)17-5-4-16(21-22-17)13-6-9-19-10-7-13;23-14-2-1-12-10-15(17(24)11-13(12)9-14)16-3-4-18(21-20-16)22-7-5-19-6-8-22/h1-8,13-14,20,26H,9-12H2;1-7,11-12,20,23H,8-10H2;1-5,8,11-13,19,24H,6-7,9-10H2;1-6,8,11-12,19,24H,7,9-10H2;1-4,9-11,19,23-24H,5-8H2/t13-,14+;;;;.

What are the key properties of 2-[6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol;3-(6-piperazin-1-ylpyridazin-3-yl)naphthalene-2,7-diol;2-(6-piperidin-4-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol;5-pyrazol-1-yl-2-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]phenol;3-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]naphthalen-2-ol?

2-[6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol;3-(6-piperazin-1-ylpyridazin-3-yl)naphthalene-2,7-diol;2-(6-piperidin-4-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol;5-pyrazol-1-yl-2-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]phenol;3-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]naphthalen-2-ol has a molecular weight of 1614.89 g/mol, XLogP of 12.10, 13 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol;3-(6-piperazin-1-ylpyridazin-3-yl)naphthalene-2,7-diol;2-(6-piperidin-4-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol;5-pyrazol-1-yl-2-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]phenol;3-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]naphthalen-2-ol is sourced from PubChem (CID 159162301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).