(3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-[3-[2-[4-[7-methoxy-8-(1-propylpyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]-3-methylmorpholin-3-yl]ethyl]-1-propylpyrazol-5-yl]-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanone

C57H62N10O8S2 — CID 155263464

About (3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-[3-[2-[4-[7-methoxy-8-(1-propylpyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]-3-methylmorpholin-3-yl]ethyl]-1-propylpyrazol-5-yl]-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanone

(3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-[3-[2-[4-[7-methoxy-8-(1-propylpyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]-3-methylmorpholin-3-yl]ethyl]-1-propylpyrazol-5-yl]-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanone (PubChem CID 155263464) has the molecular formula C57H62N10O8S2 and a molecular weight of 1079.32 g/mol. Its IUPAC name is (3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-[3-[2-[4-[7-methoxy-8-(1-propylpyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]-3-methylmorpholin-3-yl]ethyl]-1-propylpyrazol-5-yl]-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanone.

Molecular Properties

• Compound Name: (3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-[3-[2-[4-[7-methoxy-8-(1-propylpyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]-3-methylmorpholin-3-yl]ethyl]-1-propylpyrazol-5-yl]-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanone
• PubChem CID: 155263464
• Molecular Formula: C57H62N10O8S2
• Molecular Weight: 1079.32 g/mol
• Exact Mass: 1078.42
• IUPAC Name: (3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-[3-[2-[4-[7-methoxy-8-(1-propylpyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]-3-methylmorpholin-3-yl]ethyl]-1-propylpyrazol-5-yl]-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanone
• SMILES: CCCn1cc(-c2cc3c(cc2OC)OCc2c(C(=O)N4CCOCC4(C)CCc4cc(-c5cc6c(cc5OC)OCc5c(C(=O)N7CCOCC7(C)C)nn(-c7ccsc7)c5-6)n(CCC)n4)nn(-c4ccsc4)c2-3)cn1
• InChI: InChI=1S/C57H62N10O8S2/c1-8-14-62-28-35(27-58-62)39-23-41-48(25-46(39)70-6)74-30-44-51(61-66(52(41)44)37-11-20-76-31-37)55(69)64-17-19-73-34-57(64,5)13-10-36-22-45(65(59-36)15-9-2)40-24-42-49(26-47(40)71-7)75-29-43-50(54(68)63-16-18-72-33-56(63,3)4)60-67(53(42)43)38-12-21-77-32-38/h11-12,20-28,31-32H,8-10,13-19,29-30,33-34H2,1-7H3
• InChIKey: VLISJWHKRRSBIF-UHFFFAOYSA-N
• XLogP: 9.98
• TPSA: 167.28 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1079.32
LogP ≤ 5	9.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-[3-[2-[4-[7-methoxy-8-(1-propylpyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]-3-methylmorpholin-3-yl]ethyl]-1-propylpyrazol-5-yl]-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanone?

The IUPAC name of (3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-[3-[2-[4-[7-methoxy-8-(1-propylpyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]-3-methylmorpholin-3-yl]ethyl]-1-propylpyrazol-5-yl]-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanone (CID 155263464) is (3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-[3-[2-[4-[7-methoxy-8-(1-propylpyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]-3-methylmorpholin-3-yl]ethyl]-1-propylpyrazol-5-yl]-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanone.

What is the SMILES notation for (3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-[3-[2-[4-[7-methoxy-8-(1-propylpyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]-3-methylmorpholin-3-yl]ethyl]-1-propylpyrazol-5-yl]-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanone?

The canonical SMILES for (3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-[3-[2-[4-[7-methoxy-8-(1-propylpyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]-3-methylmorpholin-3-yl]ethyl]-1-propylpyrazol-5-yl]-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanone is CCCn1cc(-c2cc3c(cc2OC)OCc2c(C(=O)N4CCOCC4(C)CCc4cc(-c5cc6c(cc5OC)OCc5c(C(=O)N7CCOCC7(C)C)nn(-c7ccsc7)c5-6)n(CCC)n4)nn(-c4ccsc4)c2-3)cn1.

What is the InChIKey of (3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-[3-[2-[4-[7-methoxy-8-(1-propylpyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]-3-methylmorpholin-3-yl]ethyl]-1-propylpyrazol-5-yl]-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanone?

The InChIKey is VLISJWHKRRSBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H62N10O8S2/c1-8-14-62-28-35(27-58-62)39-23-41-48(25-46(39)70-6)74-30-44-51(61-66(52(41)44)37-11-20-76-31-37)55(69)64-17-19-73-34-57(64,5)13-10-36-22-45(65(59-36)15-9-2)40-24-42-49(26-47(40)71-7)75-29-43-50(54(68)63-16-18-72-33-56(63,3)4)60-67(53(42)43)38-12-21-77-32-38/h11-12,20-28,31-32H,8-10,13-19,29-30,33-34H2,1-7H3.

What are the key properties of (3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-[3-[2-[4-[7-methoxy-8-(1-propylpyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]-3-methylmorpholin-3-yl]ethyl]-1-propylpyrazol-5-yl]-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanone?

(3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-[3-[2-[4-[7-methoxy-8-(1-propylpyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]-3-methylmorpholin-3-yl]ethyl]-1-propylpyrazol-5-yl]-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanone has a molecular weight of 1079.32 g/mol, XLogP of 9.98, 15 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-[3-[2-[4-[7-methoxy-8-(1-propylpyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]-3-methylmorpholin-3-yl]ethyl]-1-propylpyrazol-5-yl]-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanone is sourced from PubChem (CID 155263464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).