N-(3,3-diphenylpropyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylcyclohexyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine

C132H162N22O9S — CID 158546682

IUPACN-(3,3-diphenylpropyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylcyclohexyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(NC4CCC(C)CC4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCC(C)C)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCC(c4ccccc4)c4ccccc4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCN4CCC(c5ccccc5)C4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCc4nccs4)c3c2C)cc1
InChIInChI=1S/C33H36N4O2.C30H37N5O2.C25H34N4O2.C22H25N5OS.C22H30N4O2/c1-6-39-27-17-18-29(30(21-27)38-5)37-23(3)31-22(2)35-36-33(32(31)24(37)4)34-20-19-28(25-13-9-7-10-14-25)26-15-11-8-12-16-26;1-6-37-25-12-13-26(27(18-25)36-5)35-21(3)28-20(2)32-33-30(29(28)22(35)4)31-15-17-34-16-14-24(19-34)23-10-8-7-9-11-23;1-7-31-20-12-13-21(22(14-20)30-6)29-17(4)23-16(3)27-28-25(24(23)18(29)5)26-19-10-8-15(2)9-11-19;1-5-28-18-8-6-17(7-9-18)27-15(3)20-14(2)25-26-22(21(20)16(27)4)24-11-10-19-23-12-13-29-19;1-8-28-17-9-10-18(19(11-17)27-7)26-15(5)20-14(4)24-25-22(21(20)16(26)6)23-12-13(2)3/h7-18,21,28H,6,19-20H2,1-5H3,(H,34,36);7-13,18,24H,6,14-17,19H2,1-5H3,(H,31,33);12-15,19H,7-11H2,1-6H3,(H,26,28);6-9,12-13H,5,10-11H2,1-4H3,(H,24,26);9-11,13H,8,12H2,1-7H3,(H,23,25)
InChIKeyHPEVSAPMEGVXSB-UHFFFAOYSA-N
MW2232.96 g/mol
LogP28.46
Rot. Bonds39

About N-(3,3-diphenylpropyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylcyclohexyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine

N-(3,3-diphenylpropyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylcyclohexyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine (PubChem CID 158546682) has the molecular formula C132H162N22O9S and a molecular weight of 2232.96 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylcyclohexyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylcyclohexyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine
PubChem CID158546682
Molecular FormulaC132H162N22O9S
Molecular Weight2232.96 g/mol
Exact Mass2231.26
IUPAC NameN-(3,3-diphenylpropyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylcyclohexyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(NC4CCC(C)CC4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCC(C)C)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCC(c4ccccc4)c4ccccc4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCN4CCC(c5ccccc5)C4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCc4nccs4)c3c2C)cc1
InChIInChI=1S/C33H36N4O2.C30H37N5O2.C25H34N4O2.C22H25N5OS.C22H30N4O2/c1-6-39-27-17-18-29(30(21-27)38-5)37-23(3)31-22(2)35-36-33(32(31)24(37)4)34-20-19-28(25-13-9-7-10-14-25)26-15-11-8-12-16-26;1-6-37-25-12-13-26(27(18-25)36-5)35-21(3)28-20(2)32-33-30(29(28)22(35)4)31-15-17-34-16-14-24(19-34)23-10-8-7-9-11-23;1-7-31-20-12-13-21(22(14-20)30-6)29-17(4)23-16(3)27-28-25(24(23)18(29)5)26-19-10-8-15(2)9-11-19;1-5-28-18-8-6-17(7-9-18)27-15(3)20-14(2)25-26-22(21(20)16(27)4)24-11-10-19-23-12-13-29-19;1-8-28-17-9-10-18(19(11-17)27-7)26-15(5)20-14(4)24-25-22(21(20)16(26)6)23-12-13(2)3/h7-18,21,28H,6,19-20H2,1-5H3,(H,34,36);7-13,18,24H,6,14-17,19H2,1-5H3,(H,31,33);12-15,19H,7-11H2,1-6H3,(H,26,28);6-9,12-13H,5,10-11H2,1-4H3,(H,24,26);9-11,13H,8,12H2,1-7H3,(H,23,25)
InChIKeyHPEVSAPMEGVXSB-UHFFFAOYSA-N
XLogP28.46
TPSA312.90 Ų
H-Bond Donors5
H-Bond Acceptors32
Rotatable Bonds39
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002232.96
LogP ≤ 528.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1032

Analyze N-(3,3-diphenylpropyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylcyclohexyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylcyclohexyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine?
The IUPAC name of N-(3,3-diphenylpropyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylcyclohexyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine (CID 158546682) is N-(3,3-diphenylpropyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylcyclohexyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine.
What is the SMILES notation for N-(3,3-diphenylpropyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylcyclohexyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine?
The canonical SMILES for N-(3,3-diphenylpropyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylcyclohexyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine is CCOc1ccc(-n2c(C)c3c(C)nnc(NC4CCC(C)CC4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCC(C)C)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCC(c4ccccc4)c4ccccc4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCN4CCC(c5ccccc5)C4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCc4nccs4)c3c2C)cc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylcyclohexyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine?
The InChIKey is HPEVSAPMEGVXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N4O2.C30H37N5O2.C25H34N4O2.C22H25N5OS.C22H30N4O2/c1-6-39-27-17-18-29(30(21-27)38-5)37-23(3)31-22(2)35-36-33(32(31)24(37)4)34-20-19-28(25-13-9-7-10-14-25)26-15-11-8-12-16-26;1-6-37-25-12-13-26(27(18-25)36-5)35-21(3)28-20(2)32-33-30(29(28)22(35)4)31-15-17-34-16-14-24(19-34)23-10-8-7-9-11-23;1-7-31-20-12-13-21(22(14-20)30-6)29-17(4)23-16(3)27-28-25(24(23)18(29)5)26-19-10-8-15(2)9-11-19;1-5-28-18-8-6-17(7-9-18)27-15(3)20-14(2)25-26-22(21(20)16(27)4)24-11-10-19-23-12-13-29-19;1-8-28-17-9-10-18(19(11-17)27-7)26-15(5)20-14(4)24-25-22(21(20)16(26)6)23-12-13(2)3/h7-18,21,28H,6,19-20H2,1-5H3,(H,34,36);7-13,18,24H,6,14-17,19H2,1-5H3,(H,31,33);12-15,19H,7-11H2,1-6H3,(H,26,28);6-9,12-13H,5,10-11H2,1-4H3,(H,24,26);9-11,13H,8,12H2,1-7H3,(H,23,25).
What are the key properties of N-(3,3-diphenylpropyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylcyclohexyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine?
N-(3,3-diphenylpropyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylcyclohexyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine has a molecular weight of 2232.96 g/mol, XLogP of 28.46, 39 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylcyclohexyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 158546682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).