3-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]naphthalen-2-ol;2-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,4-diazepan-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-(6-piperazin-1-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol

C110H118N32O6 — CID 159174471

IUPAC3-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]naphthalen-2-ol;2-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,4-diazepan-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-(6-piperazin-1-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol
SMILESCC1CN(c2ccc(-c3ccc(-n4cccn4)cc3O)nn2)CC(C)N1.CN1CCC2(CCN(c3ccc(-c4ccc(-n5cccn5)cc4O)nn3)C2)C1.Oc1cc(-n2cccn2)ccc1-c1ccc(CC2CNC2)nn1.Oc1cc(-n2cccn2)ccc1-c1ccc(N2CCCNCC2)nn1.Oc1cc(-n2cccn2)ccc1-c1ccc(N2CCNCC2)nn1.Oc1cc2ccccc2cc1-c1ccc(CC2CNC2)nn1
InChIInChI=1S/C21H24N6O.C19H22N6O.C18H20N6O.C18H17N3O.C17H18N6O.C17H17N5O/c1-25-11-7-21(14-25)8-12-26(15-21)20-6-5-18(23-24-20)17-4-3-16(13-19(17)28)27-10-2-9-22-27;1-13-11-24(12-14(2)21-13)19-7-6-17(22-23-19)16-5-4-15(10-18(16)26)25-9-3-8-20-25;25-17-13-14(24-11-2-8-20-24)3-4-15(17)16-5-6-18(22-21-16)23-10-1-7-19-9-12-23;22-18-9-14-4-2-1-3-13(14)8-16(18)17-6-5-15(20-21-17)7-12-10-19-11-12;24-16-12-13(23-9-1-6-19-23)2-3-14(16)15-4-5-17(21-20-15)22-10-7-18-8-11-22;23-17-9-14(22-7-1-6-19-22)3-4-15(17)16-5-2-13(20-21-16)8-12-10-18-11-12/h2-6,9-10,13,28H,7-8,11-12,14-15H2,1H3;3-10,13-14,21,26H,11-12H2,1-2H3;2-6,8,11,13,19,25H,1,7,9-10,12H2;1-6,8-9,12,19,22H,7,10-11H2;1-6,9,12,18,24H,7-8,10-11H2;1-7,9,12,18,23H,8,10-11H2
InChIKeyKMCIMDOPYXNMFK-UHFFFAOYSA-N
MW1984.37 g/mol
LogP12.63
Rot. Bonds19

About 3-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]naphthalen-2-ol;2-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,4-diazepan-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-(6-piperazin-1-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol

3-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]naphthalen-2-ol;2-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,4-diazepan-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-(6-piperazin-1-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol (PubChem CID 159174471) has the molecular formula C110H118N32O6 and a molecular weight of 1984.37 g/mol. Its IUPAC name is 3-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]naphthalen-2-ol;2-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,4-diazepan-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-(6-piperazin-1-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol.

Molecular Properties

Compound Name3-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]naphthalen-2-ol;2-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,4-diazepan-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-(6-piperazin-1-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol
PubChem CID159174471
Molecular FormulaC110H118N32O6
Molecular Weight1984.37 g/mol
Exact Mass1982.99
IUPAC Name3-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]naphthalen-2-ol;2-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,4-diazepan-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-(6-piperazin-1-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol
SMILESCC1CN(c2ccc(-c3ccc(-n4cccn4)cc3O)nn2)CC(C)N1.CN1CCC2(CCN(c3ccc(-c4ccc(-n5cccn5)cc4O)nn3)C2)C1.Oc1cc(-n2cccn2)ccc1-c1ccc(CC2CNC2)nn1.Oc1cc(-n2cccn2)ccc1-c1ccc(N2CCCNCC2)nn1.Oc1cc(-n2cccn2)ccc1-c1ccc(N2CCNCC2)nn1.Oc1cc2ccccc2cc1-c1ccc(CC2CNC2)nn1
InChIInChI=1S/C21H24N6O.C19H22N6O.C18H20N6O.C18H17N3O.C17H18N6O.C17H17N5O/c1-25-11-7-21(14-25)8-12-26(15-21)20-6-5-18(23-24-20)17-4-3-16(13-19(17)28)27-10-2-9-22-27;1-13-11-24(12-14(2)21-13)19-7-6-17(22-23-19)16-5-4-15(10-18(16)26)25-9-3-8-20-25;25-17-13-14(24-11-2-8-20-24)3-4-15(17)16-5-6-18(22-21-16)23-10-1-7-19-9-12-23;22-18-9-14-4-2-1-3-13(14)8-16(18)17-6-5-15(20-21-17)7-12-10-19-11-12;24-16-12-13(23-9-1-6-19-23)2-3-14(16)15-4-5-17(21-20-15)22-10-7-18-8-11-22;23-17-9-14(22-7-1-6-19-22)3-4-15(17)16-5-2-13(20-21-16)8-12-10-18-11-12/h2-6,9-10,13,28H,7-8,11-12,14-15H2,1H3;3-10,13-14,21,26H,11-12H2,1-2H3;2-6,8,11,13,19,25H,1,7,9-10,12H2;1-6,8-9,12,19,22H,7,10-11H2;1-6,9,12,18,24H,7-8,10-11H2;1-7,9,12,18,23H,8,10-11H2
InChIKeyKMCIMDOPYXNMFK-UHFFFAOYSA-N
XLogP12.63
TPSA441.51 Ų
H-Bond Donors11
H-Bond Acceptors38
Rotatable Bonds19
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001984.37
LogP ≤ 512.63
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1038

Analyze 3-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]naphthalen-2-ol;2-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,4-diazepan-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-(6-piperazin-1-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]naphthalen-2-ol;2-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,4-diazepan-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-(6-piperazin-1-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol?
The IUPAC name of 3-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]naphthalen-2-ol;2-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,4-diazepan-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-(6-piperazin-1-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol (CID 159174471) is 3-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]naphthalen-2-ol;2-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,4-diazepan-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-(6-piperazin-1-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol.
What is the SMILES notation for 3-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]naphthalen-2-ol;2-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,4-diazepan-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-(6-piperazin-1-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol?
The canonical SMILES for 3-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]naphthalen-2-ol;2-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,4-diazepan-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-(6-piperazin-1-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol is CC1CN(c2ccc(-c3ccc(-n4cccn4)cc3O)nn2)CC(C)N1.CN1CCC2(CCN(c3ccc(-c4ccc(-n5cccn5)cc4O)nn3)C2)C1.Oc1cc(-n2cccn2)ccc1-c1ccc(CC2CNC2)nn1.Oc1cc(-n2cccn2)ccc1-c1ccc(N2CCCNCC2)nn1.Oc1cc(-n2cccn2)ccc1-c1ccc(N2CCNCC2)nn1.Oc1cc2ccccc2cc1-c1ccc(CC2CNC2)nn1.
What is the InChIKey of 3-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]naphthalen-2-ol;2-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,4-diazepan-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-(6-piperazin-1-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol?
The InChIKey is KMCIMDOPYXNMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O.C19H22N6O.C18H20N6O.C18H17N3O.C17H18N6O.C17H17N5O/c1-25-11-7-21(14-25)8-12-26(15-21)20-6-5-18(23-24-20)17-4-3-16(13-19(17)28)27-10-2-9-22-27;1-13-11-24(12-14(2)21-13)19-7-6-17(22-23-19)16-5-4-15(10-18(16)26)25-9-3-8-20-25;25-17-13-14(24-11-2-8-20-24)3-4-15(17)16-5-6-18(22-21-16)23-10-1-7-19-9-12-23;22-18-9-14-4-2-1-3-13(14)8-16(18)17-6-5-15(20-21-17)7-12-10-19-11-12;24-16-12-13(23-9-1-6-19-23)2-3-14(16)15-4-5-17(21-20-15)22-10-7-18-8-11-22;23-17-9-14(22-7-1-6-19-22)3-4-15(17)16-5-2-13(20-21-16)8-12-10-18-11-12/h2-6,9-10,13,28H,7-8,11-12,14-15H2,1H3;3-10,13-14,21,26H,11-12H2,1-2H3;2-6,8,11,13,19,25H,1,7,9-10,12H2;1-6,8-9,12,19,22H,7,10-11H2;1-6,9,12,18,24H,7-8,10-11H2;1-7,9,12,18,23H,8,10-11H2.
What are the key properties of 3-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]naphthalen-2-ol;2-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,4-diazepan-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-(6-piperazin-1-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol?
3-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]naphthalen-2-ol;2-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,4-diazepan-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-(6-piperazin-1-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol has a molecular weight of 1984.37 g/mol, XLogP of 12.63, 19 rotatable bonds, 11 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]naphthalen-2-ol;2-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,4-diazepan-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-(6-piperazin-1-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol is sourced from PubChem (CID 159174471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).