N-(3,4-dimethoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(1H-indazol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-(oxan-2-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine

C128H150N24O13 — CID 157151790

IUPACN-(3,4-dimethoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(1H-indazol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-(oxan-2-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(NCCC4CCCCO4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4ccc5c(n4)NCCC5)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccc(OC)c4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(OC)c(OC)c4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc5[nH]ncc5c4)c3c2C)c(OC)c1
InChIInChI=1S/C26H30N6O.C26H30N4O4.C26H30N4O3.C25H26N6O2.C25H34N4O3/c1-5-33-22-12-10-21(11-13-22)32-17(3)23-16(2)30-31-26(24(23)18(32)4)28-15-20-9-8-19-7-6-14-27-25(19)29-20;1-8-34-19-10-11-20(22(14-19)32-6)30-16(3)24-15(2)28-29-26(25(24)17(30)4)27-18-9-12-21(31-5)23(13-18)33-7;1-7-33-21-11-12-22(23(14-21)32-6)30-17(3)24-16(2)28-29-26(25(24)18(30)4)27-15-19-9-8-10-20(13-19)31-5;1-6-33-19-8-10-21(22(12-19)32-5)31-15(3)23-14(2)28-30-25(24(23)16(31)4)27-18-7-9-20-17(11-18)13-26-29-20;1-6-31-20-10-11-21(22(15-20)30-5)29-17(3)23-16(2)27-28-25(24(23)18(29)4)26-13-12-19-9-7-8-14-32-19/h8-13H,5-7,14-15H2,1-4H3,(H,27,29)(H,28,31);9-14H,8H2,1-7H3,(H,27,29);8-14H,7,15H2,1-6H3,(H,27,29);7-13H,6H2,1-5H3,(H,26,29)(H,27,30);10-11,15,19H,6-9,12-14H2,1-5H3,(H,26,28)
InChIKeyALIMBBGSHJJHGH-UHFFFAOYSA-N
MW2232.76 g/mol
LogP26.49
Rot. Bonds36

About N-(3,4-dimethoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(1H-indazol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-(oxan-2-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine

N-(3,4-dimethoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(1H-indazol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-(oxan-2-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine (PubChem CID 157151790) has the molecular formula C128H150N24O13 and a molecular weight of 2232.76 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(1H-indazol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-(oxan-2-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(1H-indazol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-(oxan-2-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine
PubChem CID157151790
Molecular FormulaC128H150N24O13
Molecular Weight2232.76 g/mol
Exact Mass2231.18
IUPAC NameN-(3,4-dimethoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(1H-indazol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-(oxan-2-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(NCCC4CCCCO4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4ccc5c(n4)NCCC5)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccc(OC)c4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(OC)c(OC)c4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc5[nH]ncc5c4)c3c2C)c(OC)c1
InChIInChI=1S/C26H30N6O.C26H30N4O4.C26H30N4O3.C25H26N6O2.C25H34N4O3/c1-5-33-22-12-10-21(11-13-22)32-17(3)23-16(2)30-31-26(24(23)18(32)4)28-15-20-9-8-19-7-6-14-27-25(19)29-20;1-8-34-19-10-11-20(22(14-19)32-6)30-16(3)24-15(2)28-29-26(25(24)17(30)4)27-18-9-12-21(31-5)23(13-18)33-7;1-7-33-21-11-12-22(23(14-21)32-6)30-17(3)24-16(2)28-29-26(25(24)18(30)4)27-15-19-9-8-10-20(13-19)31-5;1-6-33-19-8-10-21(22(12-19)32-5)31-15(3)23-14(2)28-30-25(24(23)16(31)4)27-18-7-9-20-17(11-18)13-26-29-20;1-6-31-20-10-11-21(22(15-20)30-5)29-17(3)23-16(2)27-28-25(24(23)18(29)4)26-13-12-19-9-7-8-14-32-19/h8-13H,5-7,14-15H2,1-4H3,(H,27,29)(H,28,31);9-14H,8H2,1-7H3,(H,27,29);8-14H,7,15H2,1-6H3,(H,27,29);7-13H,6H2,1-5H3,(H,26,29)(H,27,30);10-11,15,19H,6-9,12-14H2,1-5H3,(H,26,28)
InChIKeyALIMBBGSHJJHGH-UHFFFAOYSA-N
XLogP26.49
TPSA387.29 Ų
H-Bond Donors7
H-Bond Acceptors36
Rotatable Bonds36
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002232.76
LogP ≤ 526.49
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1036

Analyze N-(3,4-dimethoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(1H-indazol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-(oxan-2-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(1H-indazol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-(oxan-2-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine?
The IUPAC name of N-(3,4-dimethoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(1H-indazol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-(oxan-2-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine (CID 157151790) is N-(3,4-dimethoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(1H-indazol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-(oxan-2-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(1H-indazol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-(oxan-2-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(1H-indazol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-(oxan-2-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine is CCOc1ccc(-n2c(C)c3c(C)nnc(NCCC4CCCCO4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4ccc5c(n4)NCCC5)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccc(OC)c4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(OC)c(OC)c4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc5[nH]ncc5c4)c3c2C)c(OC)c1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(1H-indazol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-(oxan-2-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine?
The InChIKey is ALIMBBGSHJJHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O.C26H30N4O4.C26H30N4O3.C25H26N6O2.C25H34N4O3/c1-5-33-22-12-10-21(11-13-22)32-17(3)23-16(2)30-31-26(24(23)18(32)4)28-15-20-9-8-19-7-6-14-27-25(19)29-20;1-8-34-19-10-11-20(22(14-19)32-6)30-16(3)24-15(2)28-29-26(25(24)17(30)4)27-18-9-12-21(31-5)23(13-18)33-7;1-7-33-21-11-12-22(23(14-21)32-6)30-17(3)24-16(2)28-29-26(25(24)18(30)4)27-15-19-9-8-10-20(13-19)31-5;1-6-33-19-8-10-21(22(12-19)32-5)31-15(3)23-14(2)28-30-25(24(23)16(31)4)27-18-7-9-20-17(11-18)13-26-29-20;1-6-31-20-10-11-21(22(15-20)30-5)29-17(3)23-16(2)27-28-25(24(23)18(29)4)26-13-12-19-9-7-8-14-32-19/h8-13H,5-7,14-15H2,1-4H3,(H,27,29)(H,28,31);9-14H,8H2,1-7H3,(H,27,29);8-14H,7,15H2,1-6H3,(H,27,29);7-13H,6H2,1-5H3,(H,26,29)(H,27,30);10-11,15,19H,6-9,12-14H2,1-5H3,(H,26,28).
What are the key properties of N-(3,4-dimethoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(1H-indazol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-(oxan-2-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine?
N-(3,4-dimethoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(1H-indazol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-(oxan-2-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine has a molecular weight of 2232.76 g/mol, XLogP of 26.49, 36 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(1H-indazol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-(oxan-2-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 157151790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).