N-[4-[[2-[[5-cyclopropyl-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]oxy]-2-pyridinyl]acetamide

C23H23N7O4S — CID 167449297

About N-[4-[[2-[[5-cyclopropyl-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]oxy]-2-pyridinyl]acetamide

N-[4-[[2-[[5-cyclopropyl-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]oxy]-2-pyridinyl]acetamide (PubChem CID 167449297) has the molecular formula C23H23N7O4S and a molecular weight of 493.55 g/mol. Its IUPAC name is N-[4-[[2-[[5-cyclopropyl-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]oxy]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[[2-[[5-cyclopropyl-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]oxy]-2-pyridinyl]acetamide
• PubChem CID: 167449297
• Molecular Formula: C23H23N7O4S
• Molecular Weight: 493.55 g/mol
• Exact Mass: 493.15
• IUPAC Name: N-[4-[[2-[[5-cyclopropyl-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]oxy]-2-pyridinyl]acetamide
• SMILES: COCCn1cc(C2CC2)cc(Nc2nc3cnc(Oc4ccnc(NC(C)=O)c4)nc3s2)c1=O
• InChI: InChI=1S/C23H23N7O4S/c1-13(31)26-19-10-16(5-6-24-19)34-22-25-11-18-20(29-22)35-23(28-18)27-17-9-15(14-3-4-14)12-30(21(17)32)7-8-33-2/h5-6,9-12,14H,3-4,7-8H2,1-2H3,(H,27,28)(H,24,26,31)
• InChIKey: BIUUJUOOYJEJDB-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 133.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.55
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[[5-cyclopropyl-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]oxy]-2-pyridinyl]acetamide?

The IUPAC name of N-[4-[[2-[[5-cyclopropyl-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]oxy]-2-pyridinyl]acetamide (CID 167449297) is N-[4-[[2-[[5-cyclopropyl-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]oxy]-2-pyridinyl]acetamide.

What is the SMILES notation for N-[4-[[2-[[5-cyclopropyl-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]oxy]-2-pyridinyl]acetamide?

The canonical SMILES for N-[4-[[2-[[5-cyclopropyl-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]oxy]-2-pyridinyl]acetamide is COCCn1cc(C2CC2)cc(Nc2nc3cnc(Oc4ccnc(NC(C)=O)c4)nc3s2)c1=O.

What is the InChIKey of N-[4-[[2-[[5-cyclopropyl-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]oxy]-2-pyridinyl]acetamide?

The InChIKey is BIUUJUOOYJEJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O4S/c1-13(31)26-19-10-16(5-6-24-19)34-22-25-11-18-20(29-22)35-23(28-18)27-17-9-15(14-3-4-14)12-30(21(17)32)7-8-33-2/h5-6,9-12,14H,3-4,7-8H2,1-2H3,(H,27,28)(H,24,26,31).

What are the key properties of N-[4-[[2-[[5-cyclopropyl-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]oxy]-2-pyridinyl]acetamide?

N-[4-[[2-[[5-cyclopropyl-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]oxy]-2-pyridinyl]acetamide has a molecular weight of 493.55 g/mol, XLogP of 3.66, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[2-[[5-cyclopropyl-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]oxy]-2-pyridinyl]acetamide is sourced from PubChem (CID 167449297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).