5-[5-[2-hydroxyethyl-[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one

C29H32N6O6 — CID 143990114

About 5-[5-[2-hydroxyethyl-[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one

5-[5-[2-hydroxyethyl-[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one (PubChem CID 143990114) has the molecular formula C29H32N6O6 and a molecular weight of 560.61 g/mol. Its IUPAC name is 5-[5-[2-hydroxyethyl-[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one.

Molecular Properties

• Compound Name: 5-[5-[2-hydroxyethyl-[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one
• PubChem CID: 143990114
• Molecular Formula: C29H32N6O6
• Molecular Weight: 560.61 g/mol
• Exact Mass: 560.24
• IUPAC Name: 5-[5-[2-hydroxyethyl-[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one
• SMILES: C=N/C(=C\C=C/C)CN(CCO)c1ccc2oc(C3NC(=O)NC3=O)cc2n1.COc1ccc2c(c1)C(=O)N(C)C2
• InChI: InChI=1S/C19H21N5O4.C10H11NO2/c1-3-4-5-12(20-2)11-24(8-9-25)16-7-6-14-13(21-16)10-15(28-14)17-18(26)23-19(27)22-17;1-11-6-7-3-4-8(13-2)5-9(7)10(11)12/h3-7,10,17,25H,2,8-9,11H2,1H3,(H2,22,23,26,27);3-5H,6H2,1-2H3/b4-3-,12-5-
• InChIKey: QILFGCUBGVGZMK-BZPUIBSUSA-N
• XLogP: 2.95
• TPSA: 149.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.61
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-hydroxyethyl-[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one?

The IUPAC name of 5-[5-[2-hydroxyethyl-[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one (CID 143990114) is 5-[5-[2-hydroxyethyl-[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one.

What is the SMILES notation for 5-[5-[2-hydroxyethyl-[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one?

The canonical SMILES for 5-[5-[2-hydroxyethyl-[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one is C=N/C(=C\C=C/C)CN(CCO)c1ccc2oc(C3NC(=O)NC3=O)cc2n1.COc1ccc2c(c1)C(=O)N(C)C2.

What is the InChIKey of 5-[5-[2-hydroxyethyl-[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one?

The InChIKey is QILFGCUBGVGZMK-BZPUIBSUSA-N. The full InChI is InChI=1S/C19H21N5O4.C10H11NO2/c1-3-4-5-12(20-2)11-24(8-9-25)16-7-6-14-13(21-16)10-15(28-14)17-18(26)23-19(27)22-17;1-11-6-7-3-4-8(13-2)5-9(7)10(11)12/h3-7,10,17,25H,2,8-9,11H2,1H3,(H2,22,23,26,27);3-5H,6H2,1-2H3/b4-3-,12-5-;.

What are the key properties of 5-[5-[2-hydroxyethyl-[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one?

5-[5-[2-hydroxyethyl-[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one has a molecular weight of 560.61 g/mol, XLogP of 2.95, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[2-hydroxyethyl-[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one is sourced from PubChem (CID 143990114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).