1,10,11,12a-tetrahydroxy-4-morpholin-4-yl-3,12-dioxo-7-(5-propan-2-yl-1H-pyrazol-3-yl)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

C29H32N4O8 — CID 177229330

About 1,10,11,12a-tetrahydroxy-4-morpholin-4-yl-3,12-dioxo-7-(5-propan-2-yl-1H-pyrazol-3-yl)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

1,10,11,12a-tetrahydroxy-4-morpholin-4-yl-3,12-dioxo-7-(5-propan-2-yl-1H-pyrazol-3-yl)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide (PubChem CID 177229330) has the molecular formula C29H32N4O8 and a molecular weight of 564.60 g/mol. Its IUPAC name is 1,10,11,12a-tetrahydroxy-4-morpholin-4-yl-3,12-dioxo-7-(5-propan-2-yl-1H-pyrazol-3-yl)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide.

Molecular Properties

• Compound Name: 1,10,11,12a-tetrahydroxy-4-morpholin-4-yl-3,12-dioxo-7-(5-propan-2-yl-1H-pyrazol-3-yl)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
• PubChem CID: 177229330
• Molecular Formula: C29H32N4O8
• Molecular Weight: 564.60 g/mol
• Exact Mass: 564.22
• IUPAC Name: 1,10,11,12a-tetrahydroxy-4-morpholin-4-yl-3,12-dioxo-7-(5-propan-2-yl-1H-pyrazol-3-yl)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
• SMILES: CC(C)c1cc(-c2ccc(O)c3c2CC2CC4C(N5CCOCC5)C(=O)C(C(N)=O)=C(O)C4(O)C(=O)C2=C3O)n[nH]1
• InChI: InChI=1S/C29H32N4O8/c1-12(2)17-11-18(32-31-17)14-3-4-19(34)21-15(14)9-13-10-16-23(33-5-7-41-8-6-33)25(36)22(28(30)39)27(38)29(16,40)26(37)20(13)24(21)35/h3-4,11-13,16,23,34-35,38,40H,5-10H2,1-2H3,(H2,30,39)(H,31,32)
• InChIKey: DMCFUTUEUWLGLX-UHFFFAOYSA-N
• XLogP: 1.25
• TPSA: 199.30 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.60
LogP ≤ 5	1.25
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,10,11,12a-tetrahydroxy-4-morpholin-4-yl-3,12-dioxo-7-(5-propan-2-yl-1H-pyrazol-3-yl)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide?

The IUPAC name of 1,10,11,12a-tetrahydroxy-4-morpholin-4-yl-3,12-dioxo-7-(5-propan-2-yl-1H-pyrazol-3-yl)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide (CID 177229330) is 1,10,11,12a-tetrahydroxy-4-morpholin-4-yl-3,12-dioxo-7-(5-propan-2-yl-1H-pyrazol-3-yl)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide.

What is the SMILES notation for 1,10,11,12a-tetrahydroxy-4-morpholin-4-yl-3,12-dioxo-7-(5-propan-2-yl-1H-pyrazol-3-yl)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide?

The canonical SMILES for 1,10,11,12a-tetrahydroxy-4-morpholin-4-yl-3,12-dioxo-7-(5-propan-2-yl-1H-pyrazol-3-yl)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide is CC(C)c1cc(-c2ccc(O)c3c2CC2CC4C(N5CCOCC5)C(=O)C(C(N)=O)=C(O)C4(O)C(=O)C2=C3O)n[nH]1.

What is the InChIKey of 1,10,11,12a-tetrahydroxy-4-morpholin-4-yl-3,12-dioxo-7-(5-propan-2-yl-1H-pyrazol-3-yl)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide?

The InChIKey is DMCFUTUEUWLGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O8/c1-12(2)17-11-18(32-31-17)14-3-4-19(34)21-15(14)9-13-10-16-23(33-5-7-41-8-6-33)25(36)22(28(30)39)27(38)29(16,40)26(37)20(13)24(21)35/h3-4,11-13,16,23,34-35,38,40H,5-10H2,1-2H3,(H2,30,39)(H,31,32).

What are the key properties of 1,10,11,12a-tetrahydroxy-4-morpholin-4-yl-3,12-dioxo-7-(5-propan-2-yl-1H-pyrazol-3-yl)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide?

1,10,11,12a-tetrahydroxy-4-morpholin-4-yl-3,12-dioxo-7-(5-propan-2-yl-1H-pyrazol-3-yl)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide has a molecular weight of 564.60 g/mol, XLogP of 1.25, 4 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1,10,11,12a-tetrahydroxy-4-morpholin-4-yl-3,12-dioxo-7-(5-propan-2-yl-1H-pyrazol-3-yl)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide is sourced from PubChem (CID 177229330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).