6-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-2-methylpyridazin-3-one;3-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxy-1H-pyridazin-6-one;3-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-1H-pyridazin-6-one;4-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-1H-pyridazin-6-one;methane

C89H118N12O9 — CID 160676058

IUPAC6-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-2-methylpyridazin-3-one;3-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxy-1H-pyridazin-6-one;3-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-1H-pyridazin-6-one;4-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-1H-pyridazin-6-one;methane
SMILESC.C.C.C.Cn1nc(-c2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)ccc1=O.O=c1cc(-c2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)cn[nH]1.O=c1ccc(-c2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)n[nH]1.O=c1ccc(Oc2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)n[nH]1
InChIInChI=1S/C22H27N3O2.C21H25N3O3.2C21H25N3O2.4CH4/c1-24-21(26)8-6-19(23-24)16-5-7-20-17(15-16)9-10-22(27-20)11-13-25(14-12-22)18-3-2-4-18;25-19-6-7-20(23-22-19)26-17-4-5-18-15(14-17)8-9-21(27-18)10-12-24(13-11-21)16-2-1-3-16;25-20-7-5-18(22-23-20)15-4-6-19-16(14-15)8-9-21(26-19)10-12-24(13-11-21)17-2-1-3-17;25-20-13-17(14-22-23-20)15-4-5-19-16(12-15)6-7-21(26-19)8-10-24(11-9-21)18-2-1-3-18;;;;/h5-8,15,18H,2-4,9-14H2,1H3;4-7,14,16H,1-3,8-13H2,(H,22,25);4-7,14,17H,1-3,8-13H2,(H,23,25);4-5,12-14,18H,1-3,6-11H2,(H,23,25);4*1H4
InChIKeyRNNUDQGHGOAUGO-UHFFFAOYSA-N
MW1500.00 g/mol
LogP15.28
Rot. Bonds9

About 6-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-2-methylpyridazin-3-one;3-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxy-1H-pyridazin-6-one;3-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-1H-pyridazin-6-one;4-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-1H-pyridazin-6-one;methane

6-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-2-methylpyridazin-3-one;3-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxy-1H-pyridazin-6-one;3-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-1H-pyridazin-6-one;4-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-1H-pyridazin-6-one;methane (PubChem CID 160676058) has the molecular formula C89H118N12O9 and a molecular weight of 1500.00 g/mol. Its IUPAC name is 6-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-2-methylpyridazin-3-one;3-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxy-1H-pyridazin-6-one;3-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-1H-pyridazin-6-one;4-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-1H-pyridazin-6-one;methane.

Molecular Properties

Compound Name6-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-2-methylpyridazin-3-one;3-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxy-1H-pyridazin-6-one;3-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-1H-pyridazin-6-one;4-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-1H-pyridazin-6-one;methane
PubChem CID160676058
Molecular FormulaC89H118N12O9
Molecular Weight1500.00 g/mol
Exact Mass1498.91
IUPAC Name6-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-2-methylpyridazin-3-one;3-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxy-1H-pyridazin-6-one;3-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-1H-pyridazin-6-one;4-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-1H-pyridazin-6-one;methane
SMILESC.C.C.C.Cn1nc(-c2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)ccc1=O.O=c1cc(-c2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)cn[nH]1.O=c1ccc(-c2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)n[nH]1.O=c1ccc(Oc2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)n[nH]1
InChIInChI=1S/C22H27N3O2.C21H25N3O3.2C21H25N3O2.4CH4/c1-24-21(26)8-6-19(23-24)16-5-7-20-17(15-16)9-10-22(27-20)11-13-25(14-12-22)18-3-2-4-18;25-19-6-7-20(23-22-19)26-17-4-5-18-15(14-17)8-9-21(27-18)10-12-24(13-11-21)16-2-1-3-16;25-20-7-5-18(22-23-20)15-4-6-19-16(14-15)8-9-21(26-19)10-12-24(13-11-21)17-2-1-3-17;25-20-13-17(14-22-23-20)15-4-5-19-16(12-15)6-7-21(26-19)8-10-24(11-9-21)18-2-1-3-18;;;;/h5-8,15,18H,2-4,9-14H2,1H3;4-7,14,16H,1-3,8-13H2,(H,22,25);4-7,14,17H,1-3,8-13H2,(H,23,25);4-5,12-14,18H,1-3,6-11H2,(H,23,25);4*1H4
InChIKeyRNNUDQGHGOAUGO-UHFFFAOYSA-N
XLogP15.28
TPSA231.25 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001500.00
LogP ≤ 515.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze 6-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-2-methylpyridazin-3-one;3-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxy-1H-pyridazin-6-one;3-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-1H-pyridazin-6-one;4-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-1H-pyridazin-6-one;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-2-methylpyridazin-3-one;3-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxy-1H-pyridazin-6-one;3-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-1H-pyridazin-6-one;4-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-1H-pyridazin-6-one;methane?
The IUPAC name of 6-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-2-methylpyridazin-3-one;3-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxy-1H-pyridazin-6-one;3-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-1H-pyridazin-6-one;4-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-1H-pyridazin-6-one;methane (CID 160676058) is 6-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-2-methylpyridazin-3-one;3-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxy-1H-pyridazin-6-one;3-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-1H-pyridazin-6-one;4-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-1H-pyridazin-6-one;methane.
What is the SMILES notation for 6-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-2-methylpyridazin-3-one;3-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxy-1H-pyridazin-6-one;3-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-1H-pyridazin-6-one;4-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-1H-pyridazin-6-one;methane?
The canonical SMILES for 6-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-2-methylpyridazin-3-one;3-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxy-1H-pyridazin-6-one;3-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-1H-pyridazin-6-one;4-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-1H-pyridazin-6-one;methane is C.C.C.C.Cn1nc(-c2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)ccc1=O.O=c1cc(-c2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)cn[nH]1.O=c1ccc(-c2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)n[nH]1.O=c1ccc(Oc2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)n[nH]1.
What is the InChIKey of 6-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-2-methylpyridazin-3-one;3-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxy-1H-pyridazin-6-one;3-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-1H-pyridazin-6-one;4-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-1H-pyridazin-6-one;methane?
The InChIKey is RNNUDQGHGOAUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2.C21H25N3O3.2C21H25N3O2.4CH4/c1-24-21(26)8-6-19(23-24)16-5-7-20-17(15-16)9-10-22(27-20)11-13-25(14-12-22)18-3-2-4-18;25-19-6-7-20(23-22-19)26-17-4-5-18-15(14-17)8-9-21(27-18)10-12-24(13-11-21)16-2-1-3-16;25-20-7-5-18(22-23-20)15-4-6-19-16(14-15)8-9-21(26-19)10-12-24(13-11-21)17-2-1-3-17;25-20-13-17(14-22-23-20)15-4-5-19-16(12-15)6-7-21(26-19)8-10-24(11-9-21)18-2-1-3-18;;;;/h5-8,15,18H,2-4,9-14H2,1H3;4-7,14,16H,1-3,8-13H2,(H,22,25);4-7,14,17H,1-3,8-13H2,(H,23,25);4-5,12-14,18H,1-3,6-11H2,(H,23,25);4*1H4.
What are the key properties of 6-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-2-methylpyridazin-3-one;3-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxy-1H-pyridazin-6-one;3-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-1H-pyridazin-6-one;4-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-1H-pyridazin-6-one;methane?
6-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-2-methylpyridazin-3-one;3-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxy-1H-pyridazin-6-one;3-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-1H-pyridazin-6-one;4-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-1H-pyridazin-6-one;methane has a molecular weight of 1500.00 g/mol, XLogP of 15.28, 9 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-2-methylpyridazin-3-one;3-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxy-1H-pyridazin-6-one;3-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-1H-pyridazin-6-one;4-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-1H-pyridazin-6-one;methane is sourced from PubChem (CID 160676058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).