N-(3-chloro-4-morpholin-4-ylphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-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-propan-2-ylpyrrolo[3,4-d]pyridazin-4-amine

C96H118ClN19O7 — CID 157181710

About N-(3-chloro-4-morpholin-4-ylphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-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-propan-2-ylpyrrolo[3,4-d]pyridazin-4-amine

N-(3-chloro-4-morpholin-4-ylphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-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-propan-2-ylpyrrolo[3,4-d]pyridazin-4-amine (PubChem CID 157181710) has the molecular formula C96H118ClN19O7 and a molecular weight of 1685.58 g/mol. Its IUPAC name is N-(3-chloro-4-morpholin-4-ylphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-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-propan-2-ylpyrrolo[3,4-d]pyridazin-4-amine.

Molecular Properties

• Compound Name: N-(3-chloro-4-morpholin-4-ylphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-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-propan-2-ylpyrrolo[3,4-d]pyridazin-4-amine
• PubChem CID: 157181710
• Molecular Formula: C96H118ClN19O7
• Molecular Weight: 1685.58 g/mol
• Exact Mass: 1683.92
• IUPAC Name: N-(3-chloro-4-morpholin-4-ylphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-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-propan-2-ylpyrrolo[3,4-d]pyridazin-4-amine
• SMILES: CCOc1ccc(-n2c(C)c3c(C)nnc(NC(C)C)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCC4CCCCO4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cc(C5CC5)n[nH]4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(N5CCOCC5)c(Cl)c4)c3c2C)c(OC)c1
• InChI: InChI=1S/C28H32ClN5O3.C24H28N6O.C24H32N4O2.C20H26N4O/c1-6-37-21-8-10-24(25(16-21)35-5)34-18(3)26-17(2)31-32-28(27(26)19(34)4)30-20-7-9-23(22(29)15-20)33-11-13-36-14-12-33;1-5-31-20-10-8-19(9-11-20)30-15(3)22-14(2)26-29-24(23(22)16(30)4)25-13-18-12-21(28-27-18)17-6-7-17;1-5-29-21-11-9-19(10-12-21)28-17(3)22-16(2)26-27-24(23(22)18(28)4)25-14-13-20-8-6-7-15-30-20;1-7-25-17-10-8-16(9-11-17)24-14(5)18-13(4)22-23-20(21-12(2)3)19(18)15(24)6/h7-10,15-16H,6,11-14H2,1-5H3,(H,30,32);8-12,17H,5-7,13H2,1-4H3,(H,25,29)(H,27,28);9-12,20H,5-8,13-15H2,1-4H3,(H,25,27);8-12H,7H2,1-6H3,(H,21,23)
• InChIKey: AOQJIGBBARRTCS-UHFFFAOYSA-N
• XLogP: 20.62
• TPSA: 267.49 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 26
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1685.58
LogP ≤ 5	20.62
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-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-propan-2-ylpyrrolo[3,4-d]pyridazin-4-amine?

The IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-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-propan-2-ylpyrrolo[3,4-d]pyridazin-4-amine (CID 157181710) is N-(3-chloro-4-morpholin-4-ylphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-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-propan-2-ylpyrrolo[3,4-d]pyridazin-4-amine.

What is the SMILES notation for N-(3-chloro-4-morpholin-4-ylphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-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-propan-2-ylpyrrolo[3,4-d]pyridazin-4-amine?

The canonical SMILES for N-(3-chloro-4-morpholin-4-ylphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-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-propan-2-ylpyrrolo[3,4-d]pyridazin-4-amine is CCOc1ccc(-n2c(C)c3c(C)nnc(NC(C)C)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCC4CCCCO4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cc(C5CC5)n[nH]4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(N5CCOCC5)c(Cl)c4)c3c2C)c(OC)c1.

What is the InChIKey of N-(3-chloro-4-morpholin-4-ylphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-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-propan-2-ylpyrrolo[3,4-d]pyridazin-4-amine?

The InChIKey is AOQJIGBBARRTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClN5O3.C24H28N6O.C24H32N4O2.C20H26N4O/c1-6-37-21-8-10-24(25(16-21)35-5)34-18(3)26-17(2)31-32-28(27(26)19(34)4)30-20-7-9-23(22(29)15-20)33-11-13-36-14-12-33;1-5-31-20-10-8-19(9-11-20)30-15(3)22-14(2)26-29-24(23(22)16(30)4)25-13-18-12-21(28-27-18)17-6-7-17;1-5-29-21-11-9-19(10-12-21)28-17(3)22-16(2)26-27-24(23(22)18(28)4)25-14-13-20-8-6-7-15-30-20;1-7-25-17-10-8-16(9-11-17)24-14(5)18-13(4)22-23-20(21-12(2)3)19(18)15(24)6/h7-10,15-16H,6,11-14H2,1-5H3,(H,30,32);8-12,17H,5-7,13H2,1-4H3,(H,25,29)(H,27,28);9-12,20H,5-8,13-15H2,1-4H3,(H,25,27);8-12H,7H2,1-6H3,(H,21,23).

What are the key properties of N-(3-chloro-4-morpholin-4-ylphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-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-propan-2-ylpyrrolo[3,4-d]pyridazin-4-amine?

N-(3-chloro-4-morpholin-4-ylphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-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-propan-2-ylpyrrolo[3,4-d]pyridazin-4-amine has a molecular weight of 1685.58 g/mol, XLogP of 20.62, 26 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-4-morpholin-4-ylphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-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-propan-2-ylpyrrolo[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 157181710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).