N-[4-[[2-[[ethyl(methyl)carbamoyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide

C28H22F2N6O4S — CID 123595848

About N-[4-[[2-[[ethyl(methyl)carbamoyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide

N-[4-[[2-[[ethyl(methyl)carbamoyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 123595848) has the molecular formula C28H22F2N6O4S and a molecular weight of 576.59 g/mol. Its IUPAC name is N-[4-[[2-[[ethyl(methyl)carbamoyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-[4-[[2-[[ethyl(methyl)carbamoyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide
• PubChem CID: 123595848
• Molecular Formula: C28H22F2N6O4S
• Molecular Weight: 576.59 g/mol
• Exact Mass: 576.14
• IUPAC Name: N-[4-[[2-[[ethyl(methyl)carbamoyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide
• SMILES: CCN(C)C(=O)Nc1cc(Oc2ccc(NC(=O)c3cc4ncsc4n(-c4ccc(F)cc4)c3=O)cc2F)ccn1
• InChI: InChI=1S/C28H22F2N6O4S/c1-3-35(2)28(39)34-24-13-19(10-11-31-24)40-23-9-6-17(12-21(23)30)33-25(37)20-14-22-27(41-15-32-22)36(26(20)38)18-7-4-16(29)5-8-18/h4-15H,3H2,1-2H3,(H,33,37)(H,31,34,39)
• InChIKey: JUBXYGZHOYDQEK-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 118.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.59
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[[ethyl(methyl)carbamoyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide?

The IUPAC name of N-[4-[[2-[[ethyl(methyl)carbamoyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide (CID 123595848) is N-[4-[[2-[[ethyl(methyl)carbamoyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide.

What is the SMILES notation for N-[4-[[2-[[ethyl(methyl)carbamoyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide?

The canonical SMILES for N-[4-[[2-[[ethyl(methyl)carbamoyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide is CCN(C)C(=O)Nc1cc(Oc2ccc(NC(=O)c3cc4ncsc4n(-c4ccc(F)cc4)c3=O)cc2F)ccn1.

What is the InChIKey of N-[4-[[2-[[ethyl(methyl)carbamoyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide?

The InChIKey is JUBXYGZHOYDQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F2N6O4S/c1-3-35(2)28(39)34-24-13-19(10-11-31-24)40-23-9-6-17(12-21(23)30)33-25(37)20-14-22-27(41-15-32-22)36(26(20)38)18-7-4-16(29)5-8-18/h4-15H,3H2,1-2H3,(H,33,37)(H,31,34,39).

What are the key properties of N-[4-[[2-[[ethyl(methyl)carbamoyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide?

N-[4-[[2-[[ethyl(methyl)carbamoyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 576.59 g/mol, XLogP of 5.65, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[2-[[ethyl(methyl)carbamoyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 123595848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).