N-[4-[[2-[[5-cyclopropyl-1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[4,5-b]pyridin-6-yl]oxy]-2-pyridinyl]acetamide

C26H26N6O4S — CID 167449279

About N-[4-[[2-[[5-cyclopropyl-1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[4,5-b]pyridin-6-yl]oxy]-2-pyridinyl]acetamide

N-[4-[[2-[[5-cyclopropyl-1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[4,5-b]pyridin-6-yl]oxy]-2-pyridinyl]acetamide (PubChem CID 167449279) has the molecular formula C26H26N6O4S and a molecular weight of 518.60 g/mol. Its IUPAC name is N-[4-[[2-[[5-cyclopropyl-1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[4,5-b]pyridin-6-yl]oxy]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[[2-[[5-cyclopropyl-1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[4,5-b]pyridin-6-yl]oxy]-2-pyridinyl]acetamide
• PubChem CID: 167449279
• Molecular Formula: C26H26N6O4S
• Molecular Weight: 518.60 g/mol
• Exact Mass: 518.17
• IUPAC Name: N-[4-[[2-[[5-cyclopropyl-1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[4,5-b]pyridin-6-yl]oxy]-2-pyridinyl]acetamide
• SMILES: CC(=O)Nc1cc(Oc2cnc3nc(Nc4cc(C5CC5)cn([C@@H]5CCCOC5)c4=O)sc3c2)ccn1
• InChI: InChI=1S/C26H26N6O4S/c1-15(33)29-23-11-19(6-7-27-23)36-20-10-22-24(28-12-20)31-26(37-22)30-21-9-17(16-4-5-16)13-32(25(21)34)18-3-2-8-35-14-18/h6-7,9-13,16,18H,2-5,8,14H2,1H3,(H,27,29,33)(H,28,30,31)/t18-/m1/s1
• InChIKey: ONBMHKHCVFCYIM-GOSISDBHSA-N
• XLogP: 4.97
• TPSA: 120.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.60
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[[5-cyclopropyl-1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[4,5-b]pyridin-6-yl]oxy]-2-pyridinyl]acetamide?

The IUPAC name of N-[4-[[2-[[5-cyclopropyl-1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[4,5-b]pyridin-6-yl]oxy]-2-pyridinyl]acetamide (CID 167449279) is N-[4-[[2-[[5-cyclopropyl-1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[4,5-b]pyridin-6-yl]oxy]-2-pyridinyl]acetamide.

What is the SMILES notation for N-[4-[[2-[[5-cyclopropyl-1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[4,5-b]pyridin-6-yl]oxy]-2-pyridinyl]acetamide?

The canonical SMILES for N-[4-[[2-[[5-cyclopropyl-1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[4,5-b]pyridin-6-yl]oxy]-2-pyridinyl]acetamide is CC(=O)Nc1cc(Oc2cnc3nc(Nc4cc(C5CC5)cn([C@@H]5CCCOC5)c4=O)sc3c2)ccn1.

What is the InChIKey of N-[4-[[2-[[5-cyclopropyl-1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[4,5-b]pyridin-6-yl]oxy]-2-pyridinyl]acetamide?

The InChIKey is ONBMHKHCVFCYIM-GOSISDBHSA-N. The full InChI is InChI=1S/C26H26N6O4S/c1-15(33)29-23-11-19(6-7-27-23)36-20-10-22-24(28-12-20)31-26(37-22)30-21-9-17(16-4-5-16)13-32(25(21)34)18-3-2-8-35-14-18/h6-7,9-13,16,18H,2-5,8,14H2,1H3,(H,27,29,33)(H,28,30,31)/t18-/m1/s1.

What are the key properties of N-[4-[[2-[[5-cyclopropyl-1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[4,5-b]pyridin-6-yl]oxy]-2-pyridinyl]acetamide?

N-[4-[[2-[[5-cyclopropyl-1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[4,5-b]pyridin-6-yl]oxy]-2-pyridinyl]acetamide has a molecular weight of 518.60 g/mol, XLogP of 4.97, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[2-[[5-cyclopropyl-1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[4,5-b]pyridin-6-yl]oxy]-2-pyridinyl]acetamide is sourced from PubChem (CID 167449279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).