N-[3-[6-[2-[acetyl(methyl)amino]ethyl]-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide;6-(2,3-dihydroxypropyl)-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluoro-4-iodophenyl)methyl]-6-(3-methoxypropyl)-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione

C111H106F4I4N6O20 — CID 159340375

About N-[3-[6-[2-[acetyl(methyl)amino]ethyl]-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide;6-(2,3-dihydroxypropyl)-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluoro-4-iodophenyl)methyl]-6-(3-methoxypropyl)-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione

N-[3-[6-[2-[acetyl(methyl)amino]ethyl]-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide;6-(2,3-dihydroxypropyl)-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluoro-4-iodophenyl)methyl]-6-(3-methoxypropyl)-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione (PubChem CID 159340375) has the molecular formula C111H106F4I4N6O20 and a molecular weight of 2427.70 g/mol. Its IUPAC name is N-[3-[6-[2-[acetyl(methyl)amino]ethyl]-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide;6-(2,3-dihydroxypropyl)-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluoro-4-iodophenyl)methyl]-6-(3-methoxypropyl)-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

• Compound Name: N-[3-[6-[2-[acetyl(methyl)amino]ethyl]-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide;6-(2,3-dihydroxypropyl)-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluoro-4-iodophenyl)methyl]-6-(3-methoxypropyl)-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione
• PubChem CID: 159340375
• Molecular Formula: C111H106F4I4N6O20
• Molecular Weight: 2427.70 g/mol
• Exact Mass: 2426.36
• IUPAC Name: N-[3-[6-[2-[acetyl(methyl)amino]ethyl]-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide;6-(2,3-dihydroxypropyl)-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluoro-4-iodophenyl)methyl]-6-(3-methoxypropyl)-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione
• SMILES: CC(=O)Cc1cccc(-c2c(C)n(C3CCOCC3)c(=O)c3c(Cc4ccc(I)cc4F)c(C)c(=O)oc23)c1.CC(=O)Cc1cccc(-c2c(C)n(CC(O)CO)c(=O)c3c(Cc4ccc(I)cc4F)c(C)c(=O)oc23)c1.CC(=O)Nc1cccc(-c2c(C)n(CCN(C)C(C)=O)c(=O)c3c(Cc4ccc(I)cc4F)c(C)c(=O)oc23)c1.COCCCn1c(C)cc2oc(=O)c(C)c(Cc3ccc(I)cc3F)c2c1=O
• InChI: InChI=1S/C31H29FINO5.C30H29FIN3O5.C29H27FINO6.C21H21FINO4/c1-17(35)13-20-5-4-6-22(14-20)27-19(3)34(24-9-11-38-12-10-24)30(36)28-25(18(2)31(37)39-29(27)28)15-21-7-8-23(33)16-26(21)32;1-16-24(14-20-9-10-22(32)15-25(20)31)27-28(40-30(16)39)26(21-7-6-8-23(13-21)33-18(3)36)17(2)35(29(27)38)12-11-34(5)19(4)37;1-15(34)9-18-5-4-6-20(10-18)25-17(3)32(13-22(35)14-33)28(36)26-23(16(2)29(37)38-27(25)26)11-19-7-8-21(31)12-24(19)30;1-12-9-18-19(20(25)24(12)7-4-8-27-3)16(13(2)21(26)28-18)10-14-5-6-15(23)11-17(14)22/h4-8,14,16,24H,9-13,15H2,1-3H3;6-10,13,15H,11-12,14H2,1-5H3,(H,33,36);4-8,10,12,22,33,35H,9,11,13-14H2,1-3H3;5-6,9,11H,4,7-8,10H2,1-3H3
• InChIKey: LGBHQWJHUHNFKQ-UHFFFAOYSA-N
• XLogP: 19.07
• TPSA: 351.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 27
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2427.70
LogP ≤ 5	19.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-[2-[acetyl(methyl)amino]ethyl]-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide;6-(2,3-dihydroxypropyl)-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluoro-4-iodophenyl)methyl]-6-(3-methoxypropyl)-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione?

The IUPAC name of N-[3-[6-[2-[acetyl(methyl)amino]ethyl]-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide;6-(2,3-dihydroxypropyl)-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluoro-4-iodophenyl)methyl]-6-(3-methoxypropyl)-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione (CID 159340375) is N-[3-[6-[2-[acetyl(methyl)amino]ethyl]-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide;6-(2,3-dihydroxypropyl)-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluoro-4-iodophenyl)methyl]-6-(3-methoxypropyl)-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione.

What is the SMILES notation for N-[3-[6-[2-[acetyl(methyl)amino]ethyl]-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide;6-(2,3-dihydroxypropyl)-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluoro-4-iodophenyl)methyl]-6-(3-methoxypropyl)-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione?

The canonical SMILES for N-[3-[6-[2-[acetyl(methyl)amino]ethyl]-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide;6-(2,3-dihydroxypropyl)-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluoro-4-iodophenyl)methyl]-6-(3-methoxypropyl)-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione is CC(=O)Cc1cccc(-c2c(C)n(C3CCOCC3)c(=O)c3c(Cc4ccc(I)cc4F)c(C)c(=O)oc23)c1.CC(=O)Cc1cccc(-c2c(C)n(CC(O)CO)c(=O)c3c(Cc4ccc(I)cc4F)c(C)c(=O)oc23)c1.CC(=O)Nc1cccc(-c2c(C)n(CCN(C)C(C)=O)c(=O)c3c(Cc4ccc(I)cc4F)c(C)c(=O)oc23)c1.COCCCn1c(C)cc2oc(=O)c(C)c(Cc3ccc(I)cc3F)c2c1=O.

What is the InChIKey of N-[3-[6-[2-[acetyl(methyl)amino]ethyl]-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide;6-(2,3-dihydroxypropyl)-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluoro-4-iodophenyl)methyl]-6-(3-methoxypropyl)-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione?

The InChIKey is LGBHQWJHUHNFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29FINO5.C30H29FIN3O5.C29H27FINO6.C21H21FINO4/c1-17(35)13-20-5-4-6-22(14-20)27-19(3)34(24-9-11-38-12-10-24)30(36)28-25(18(2)31(37)39-29(27)28)15-21-7-8-23(33)16-26(21)32;1-16-24(14-20-9-10-22(32)15-25(20)31)27-28(40-30(16)39)26(21-7-6-8-23(13-21)33-18(3)36)17(2)35(29(27)38)12-11-34(5)19(4)37;1-15(34)9-18-5-4-6-20(10-18)25-17(3)32(13-22(35)14-33)28(36)26-23(16(2)29(37)38-27(25)26)11-19-7-8-21(31)12-24(19)30;1-12-9-18-19(20(25)24(12)7-4-8-27-3)16(13(2)21(26)28-18)10-14-5-6-15(23)11-17(14)22/h4-8,14,16,24H,9-13,15H2,1-3H3;6-10,13,15H,11-12,14H2,1-5H3,(H,33,36);4-8,10,12,22,33,35H,9,11,13-14H2,1-3H3;5-6,9,11H,4,7-8,10H2,1-3H3.

What are the key properties of N-[3-[6-[2-[acetyl(methyl)amino]ethyl]-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide;6-(2,3-dihydroxypropyl)-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluoro-4-iodophenyl)methyl]-6-(3-methoxypropyl)-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione?

N-[3-[6-[2-[acetyl(methyl)amino]ethyl]-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide;6-(2,3-dihydroxypropyl)-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluoro-4-iodophenyl)methyl]-6-(3-methoxypropyl)-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 2427.70 g/mol, XLogP of 19.07, 27 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[6-[2-[acetyl(methyl)amino]ethyl]-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide;6-(2,3-dihydroxypropyl)-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluoro-4-iodophenyl)methyl]-6-(3-methoxypropyl)-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 159340375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).