N-cyclopentyl-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-phenylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-phenylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-methyl-1,3-benzothiazol-6-amine

C128H153N23O10S — CID 158785917

IUPACN-cyclopentyl-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-phenylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-phenylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-methyl-1,3-benzothiazol-6-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(NC4CCCC4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCC(C)c4ccccc4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCCCc4ccccc4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cnn(CC)c4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc5nc(C)sc5c4)c3c2C)c(OC)c1
InChIInChI=1S/C28H34N4O2.C27H32N4O2.C26H27N5O2S.C24H30N6O2.C23H30N4O2/c1-6-34-23-15-16-24(25(18-23)33-5)32-20(3)26-19(2)30-31-28(27(26)21(32)4)29-17-11-10-14-22-12-8-7-9-13-22;1-7-33-22-13-14-23(24(15-22)32-6)31-19(4)25-18(3)29-30-27(26(25)20(31)5)28-16-17(2)21-11-9-8-10-12-21;1-7-33-19-9-11-21(22(13-19)32-6)31-15(3)24-14(2)29-30-26(25(24)16(31)4)28-18-8-10-20-23(12-18)34-17(5)27-20;1-7-29-14-18(13-26-29)12-25-24-23-17(5)30(16(4)22(23)15(3)27-28-24)20-10-9-19(32-8-2)11-21(20)31-6;1-6-29-18-11-12-19(20(13-18)28-5)27-15(3)21-14(2)25-26-23(22(21)16(27)4)24-17-9-7-8-10-17/h7-9,12-13,15-16,18H,6,10-11,14,17H2,1-5H3,(H,29,31);8-15,17H,7,16H2,1-6H3,(H,28,30);8-13H,7H2,1-6H3,(H,28,30);9-11,13-14H,7-8,12H2,1-6H3,(H,25,28);11-13,17H,6-10H2,1-5H3,(H,24,26)
InChIKeyIRRISOPMEFUBQM-UHFFFAOYSA-N
MW2205.85 g/mol
LogP28.26
Rot. Bonds38

About N-cyclopentyl-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-phenylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-phenylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-methyl-1,3-benzothiazol-6-amine

N-cyclopentyl-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-phenylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-phenylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-methyl-1,3-benzothiazol-6-amine (PubChem CID 158785917) has the molecular formula C128H153N23O10S and a molecular weight of 2205.85 g/mol. Its IUPAC name is N-cyclopentyl-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-phenylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-phenylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-methyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-cyclopentyl-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-phenylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-phenylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-methyl-1,3-benzothiazol-6-amine
PubChem CID158785917
Molecular FormulaC128H153N23O10S
Molecular Weight2205.85 g/mol
Exact Mass2204.19
IUPAC NameN-cyclopentyl-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-phenylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-phenylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-methyl-1,3-benzothiazol-6-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(NC4CCCC4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCC(C)c4ccccc4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCCCc4ccccc4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cnn(CC)c4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc5nc(C)sc5c4)c3c2C)c(OC)c1
InChIInChI=1S/C28H34N4O2.C27H32N4O2.C26H27N5O2S.C24H30N6O2.C23H30N4O2/c1-6-34-23-15-16-24(25(18-23)33-5)32-20(3)26-19(2)30-31-28(27(26)21(32)4)29-17-11-10-14-22-12-8-7-9-13-22;1-7-33-22-13-14-23(24(15-22)32-6)31-19(4)25-18(3)29-30-27(26(25)20(31)5)28-16-17(2)21-11-9-8-10-12-21;1-7-33-19-9-11-21(22(13-19)32-6)31-15(3)24-14(2)29-30-26(25(24)16(31)4)28-18-8-10-20-23(12-18)34-17(5)27-20;1-7-29-14-18(13-26-29)12-25-24-23-17(5)30(16(4)22(23)15(3)27-28-24)20-10-9-19(32-8-2)11-21(20)31-6;1-6-29-18-11-12-19(20(13-18)28-5)27-15(3)21-14(2)25-26-23(22(21)16(27)4)24-17-9-7-8-10-17/h7-9,12-13,15-16,18H,6,10-11,14,17H2,1-5H3,(H,29,31);8-15,17H,7,16H2,1-6H3,(H,28,30);8-13H,7H2,1-6H3,(H,28,30);9-11,13-14H,7-8,12H2,1-6H3,(H,25,28);11-13,17H,6-10H2,1-5H3,(H,24,26)
InChIKeyIRRISOPMEFUBQM-UHFFFAOYSA-N
XLogP28.26
TPSA336.71 Ų
H-Bond Donors5
H-Bond Acceptors34
Rotatable Bonds38
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002205.85
LogP ≤ 528.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-cyclopentyl-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-phenylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-phenylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-methyl-1,3-benzothiazol-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-phenylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-phenylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-methyl-1,3-benzothiazol-6-amine?
The IUPAC name of N-cyclopentyl-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-phenylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-phenylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-methyl-1,3-benzothiazol-6-amine (CID 158785917) is N-cyclopentyl-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-phenylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-phenylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-methyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-cyclopentyl-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-phenylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-phenylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-methyl-1,3-benzothiazol-6-amine?
The canonical SMILES for N-cyclopentyl-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-phenylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-phenylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-methyl-1,3-benzothiazol-6-amine is CCOc1ccc(-n2c(C)c3c(C)nnc(NC4CCCC4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCC(C)c4ccccc4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCCCc4ccccc4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cnn(CC)c4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc5nc(C)sc5c4)c3c2C)c(OC)c1.
What is the InChIKey of N-cyclopentyl-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-phenylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-phenylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-methyl-1,3-benzothiazol-6-amine?
The InChIKey is IRRISOPMEFUBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2.C27H32N4O2.C26H27N5O2S.C24H30N6O2.C23H30N4O2/c1-6-34-23-15-16-24(25(18-23)33-5)32-20(3)26-19(2)30-31-28(27(26)21(32)4)29-17-11-10-14-22-12-8-7-9-13-22;1-7-33-22-13-14-23(24(15-22)32-6)31-19(4)25-18(3)29-30-27(26(25)20(31)5)28-16-17(2)21-11-9-8-10-12-21;1-7-33-19-9-11-21(22(13-19)32-6)31-15(3)24-14(2)29-30-26(25(24)16(31)4)28-18-8-10-20-23(12-18)34-17(5)27-20;1-7-29-14-18(13-26-29)12-25-24-23-17(5)30(16(4)22(23)15(3)27-28-24)20-10-9-19(32-8-2)11-21(20)31-6;1-6-29-18-11-12-19(20(13-18)28-5)27-15(3)21-14(2)25-26-23(22(21)16(27)4)24-17-9-7-8-10-17/h7-9,12-13,15-16,18H,6,10-11,14,17H2,1-5H3,(H,29,31);8-15,17H,7,16H2,1-6H3,(H,28,30);8-13H,7H2,1-6H3,(H,28,30);9-11,13-14H,7-8,12H2,1-6H3,(H,25,28);11-13,17H,6-10H2,1-5H3,(H,24,26).
What are the key properties of N-cyclopentyl-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-phenylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-phenylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-methyl-1,3-benzothiazol-6-amine?
N-cyclopentyl-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-phenylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-phenylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-methyl-1,3-benzothiazol-6-amine has a molecular weight of 2205.85 g/mol, XLogP of 28.26, 38 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-phenylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-phenylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-methyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 158785917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).