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]naphthalene-2,7-diol;3-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]naphthalen-2-ol

C92H88N20O7 — CID 159091210

IUPAC3-(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]naphthalene-2,7-diol;3-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]naphthalen-2-ol
SMILESOc1cc(-n2cccn2)ccc1-c1ccc(C2=CCNCC2)nn1.Oc1cc(-n2cccn2)ccc1-c1ccc(C2CCNCC2)nn1.Oc1cc2ccccc2cc1-c1ccc(C2=CCNCC2)nn1.Oc1ccc2cc(-c3ccc(C4=CCNCC4)nn3)c(O)cc2c1.Oc1ccc2cc(-c3ccc(N4CCNCC4)nn3)c(O)cc2c1
InChIInChI=1S/C19H17N3O2.C19H17N3O.C18H19N5O.C18H17N5O.C18H18N4O2/c23-15-2-1-13-10-16(19(24)11-14(13)9-15)18-4-3-17(21-22-18)12-5-7-20-8-6-12;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/h1-5,9-11,20,23-24H,6-8H2;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
InChIKeyKCBSBHBMOXBTQO-UHFFFAOYSA-N
MW1585.85 g/mol
LogP13.49
Rot. Bonds12

About 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]naphthalene-2,7-diol;3-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]naphthalen-2-ol

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]naphthalene-2,7-diol;3-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]naphthalen-2-ol (PubChem CID 159091210) has the molecular formula C92H88N20O7 and a molecular weight of 1585.85 g/mol. Its IUPAC name is 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]naphthalene-2,7-diol;3-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]naphthalen-2-ol.

Molecular Properties

Compound Name3-(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]naphthalene-2,7-diol;3-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]naphthalen-2-ol
PubChem CID159091210
Molecular FormulaC92H88N20O7
Molecular Weight1585.85 g/mol
Exact Mass1584.71
IUPAC Name3-(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]naphthalene-2,7-diol;3-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]naphthalen-2-ol
SMILESOc1cc(-n2cccn2)ccc1-c1ccc(C2=CCNCC2)nn1.Oc1cc(-n2cccn2)ccc1-c1ccc(C2CCNCC2)nn1.Oc1cc2ccccc2cc1-c1ccc(C2=CCNCC2)nn1.Oc1ccc2cc(-c3ccc(C4=CCNCC4)nn3)c(O)cc2c1.Oc1ccc2cc(-c3ccc(N4CCNCC4)nn3)c(O)cc2c1
InChIInChI=1S/C19H17N3O2.C19H17N3O.C18H19N5O.C18H17N5O.C18H18N4O2/c23-15-2-1-13-10-16(19(24)11-14(13)9-15)18-4-3-17(21-22-18)12-5-7-20-8-6-12;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/h1-5,9-11,20,23-24H,6-8H2;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
InChIKeyKCBSBHBMOXBTQO-UHFFFAOYSA-N
XLogP13.49
TPSA369.54 Ų
H-Bond Donors12
H-Bond Acceptors27
Rotatable Bonds12
Heavy Atoms119
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001585.85
LogP ≤ 513.49
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1027

Analyze 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]naphthalene-2,7-diol;3-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]naphthalen-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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]naphthalene-2,7-diol;3-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]naphthalen-2-ol?
The IUPAC name of 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]naphthalene-2,7-diol;3-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]naphthalen-2-ol (CID 159091210) is 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]naphthalene-2,7-diol;3-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]naphthalen-2-ol.
What is the SMILES notation for 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]naphthalene-2,7-diol;3-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]naphthalen-2-ol?
The canonical SMILES for 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]naphthalene-2,7-diol;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.Oc1cc2ccccc2cc1-c1ccc(C2=CCNCC2)nn1.Oc1ccc2cc(-c3ccc(C4=CCNCC4)nn3)c(O)cc2c1.Oc1ccc2cc(-c3ccc(N4CCNCC4)nn3)c(O)cc2c1.
What is the InChIKey of 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]naphthalene-2,7-diol;3-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]naphthalen-2-ol?
The InChIKey is KCBSBHBMOXBTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2.C19H17N3O.C18H19N5O.C18H17N5O.C18H18N4O2/c23-15-2-1-13-10-16(19(24)11-14(13)9-15)18-4-3-17(21-22-18)12-5-7-20-8-6-12;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/h1-5,9-11,20,23-24H,6-8H2;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.
What are the key properties of 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]naphthalene-2,7-diol;3-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]naphthalen-2-ol?
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]naphthalene-2,7-diol;3-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]naphthalen-2-ol has a molecular weight of 1585.85 g/mol, XLogP of 13.49, 12 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 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]naphthalene-2,7-diol;3-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]naphthalen-2-ol is sourced from PubChem (CID 159091210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).