4-(azetidin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-(3,4-dimethylphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(4-ethylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine

C128H150N22O12 — CID 159460771

IUPAC4-(azetidin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-(3,4-dimethylphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(4-ethylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(N4CCC4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCN(c5cccc6c5OCCO6)CC4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccc(C)n4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(C)c(C)c4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(CC)cc4)c3c2C)c(OC)c1
InChIInChI=1S/C30H35N5O4.2C26H30N4O2.C25H29N5O2.C21H26N4O2/c1-6-37-22-10-11-23(26(18-22)36-5)35-20(3)27-19(2)31-32-30(28(27)21(35)4)34-14-12-33(13-15-34)24-8-7-9-25-29(24)39-17-16-38-25;1-8-32-21-11-12-22(23(14-21)31-7)30-18(5)24-17(4)28-29-26(25(24)19(30)6)27-20-10-9-15(2)16(3)13-20;1-7-19-9-11-20(12-10-19)27-26-25-18(5)30(17(4)24(25)16(3)28-29-26)22-14-13-21(32-8-2)15-23(22)31-6;1-7-32-20-11-12-21(22(13-20)31-6)30-17(4)23-16(3)28-29-25(24(23)18(30)5)26-14-19-10-8-9-15(2)27-19;1-6-27-16-8-9-17(18(12-16)26-5)25-14(3)19-13(2)22-23-21(20(19)15(25)4)24-10-7-11-24/h7-11,18H,6,12-17H2,1-5H3;9-14H,8H2,1-7H3,(H,27,29);9-15H,7-8H2,1-6H3,(H,27,29);8-13H,7,14H2,1-6H3,(H,26,29);8-9,12H,6-7,10-11H2,1-5H3
InChIKeyLUOJHUMYIPBEII-UHFFFAOYSA-N
MW2188.75 g/mol
LogP26.06
Rot. Bonds31

About 4-(azetidin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-(3,4-dimethylphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(4-ethylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine

4-(azetidin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-(3,4-dimethylphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(4-ethylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine (PubChem CID 159460771) has the molecular formula C128H150N22O12 and a molecular weight of 2188.75 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-(3,4-dimethylphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(4-ethylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine.

Molecular Properties

Compound Name4-(azetidin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-(3,4-dimethylphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(4-ethylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine
PubChem CID159460771
Molecular FormulaC128H150N22O12
Molecular Weight2188.75 g/mol
Exact Mass2187.18
IUPAC Name4-(azetidin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-(3,4-dimethylphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(4-ethylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(N4CCC4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCN(c5cccc6c5OCCO6)CC4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccc(C)n4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(C)c(C)c4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(CC)cc4)c3c2C)c(OC)c1
InChIInChI=1S/C30H35N5O4.2C26H30N4O2.C25H29N5O2.C21H26N4O2/c1-6-37-22-10-11-23(26(18-22)36-5)35-20(3)27-19(2)31-32-30(28(27)21(35)4)34-14-12-33(13-15-34)24-8-7-9-25-29(24)39-17-16-38-25;1-8-32-21-11-12-22(23(14-21)31-7)30-18(5)24-17(4)28-29-26(25(24)19(30)6)27-20-10-9-15(2)16(3)13-20;1-7-19-9-11-20(12-10-19)27-26-25-18(5)30(17(4)24(25)16(3)28-29-26)22-14-13-21(32-8-2)15-23(22)31-6;1-7-32-20-11-12-21(22(13-20)31-6)30-17(4)23-16(3)28-29-25(24(23)18(30)5)26-14-19-10-8-9-15(2)27-19;1-6-27-16-8-9-17(18(12-16)26-5)25-14(3)19-13(2)22-23-21(20(19)15(25)4)24-10-7-11-24/h7-11,18H,6,12-17H2,1-5H3;9-14H,8H2,1-7H3,(H,27,29);9-15H,7-8H2,1-6H3,(H,27,29);8-13H,7,14H2,1-6H3,(H,26,29);8-9,12H,6-7,10-11H2,1-5H3
InChIKeyLUOJHUMYIPBEII-UHFFFAOYSA-N
XLogP26.06
TPSA323.01 Ų
H-Bond Donors3
H-Bond Acceptors34
Rotatable Bonds31
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002188.75
LogP ≤ 526.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1034

Analyze 4-(azetidin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-(3,4-dimethylphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(4-ethylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-(3,4-dimethylphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(4-ethylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine?
The IUPAC name of 4-(azetidin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-(3,4-dimethylphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(4-ethylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine (CID 159460771) is 4-(azetidin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-(3,4-dimethylphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(4-ethylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine.
What is the SMILES notation for 4-(azetidin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-(3,4-dimethylphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(4-ethylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine?
The canonical SMILES for 4-(azetidin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-(3,4-dimethylphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(4-ethylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine is CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCC4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCN(c5cccc6c5OCCO6)CC4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccc(C)n4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(C)c(C)c4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(CC)cc4)c3c2C)c(OC)c1.
What is the InChIKey of 4-(azetidin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-(3,4-dimethylphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(4-ethylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine?
The InChIKey is LUOJHUMYIPBEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O4.2C26H30N4O2.C25H29N5O2.C21H26N4O2/c1-6-37-22-10-11-23(26(18-22)36-5)35-20(3)27-19(2)31-32-30(28(27)21(35)4)34-14-12-33(13-15-34)24-8-7-9-25-29(24)39-17-16-38-25;1-8-32-21-11-12-22(23(14-21)31-7)30-18(5)24-17(4)28-29-26(25(24)19(30)6)27-20-10-9-15(2)16(3)13-20;1-7-19-9-11-20(12-10-19)27-26-25-18(5)30(17(4)24(25)16(3)28-29-26)22-14-13-21(32-8-2)15-23(22)31-6;1-7-32-20-11-12-21(22(13-20)31-6)30-17(4)23-16(3)28-29-25(24(23)18(30)5)26-14-19-10-8-9-15(2)27-19;1-6-27-16-8-9-17(18(12-16)26-5)25-14(3)19-13(2)22-23-21(20(19)15(25)4)24-10-7-11-24/h7-11,18H,6,12-17H2,1-5H3;9-14H,8H2,1-7H3,(H,27,29);9-15H,7-8H2,1-6H3,(H,27,29);8-13H,7,14H2,1-6H3,(H,26,29);8-9,12H,6-7,10-11H2,1-5H3.
What are the key properties of 4-(azetidin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-(3,4-dimethylphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(4-ethylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine?
4-(azetidin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-(3,4-dimethylphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(4-ethylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine has a molecular weight of 2188.75 g/mol, XLogP of 26.06, 31 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-(3,4-dimethylphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(4-ethylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 159460771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).