N-[4-[2-[[5-tert-butyl-4-[(3R)-oxolan-3-yl]-1,3-thiazol-2-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide

C25H29N7O3S — CID 157042211

About N-[4-[2-[[5-tert-butyl-4-[(3R)-oxolan-3-yl]-1,3-thiazol-2-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide

N-[4-[2-[[5-tert-butyl-4-[(3R)-oxolan-3-yl]-1,3-thiazol-2-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide (PubChem CID 157042211) has the molecular formula C25H29N7O3S and a molecular weight of 507.62 g/mol. Its IUPAC name is N-[4-[2-[[5-tert-butyl-4-[(3R)-oxolan-3-yl]-1,3-thiazol-2-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[2-[[5-tert-butyl-4-[(3R)-oxolan-3-yl]-1,3-thiazol-2-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
• PubChem CID: 157042211
• Molecular Formula: C25H29N7O3S
• Molecular Weight: 507.62 g/mol
• Exact Mass: 507.21
• IUPAC Name: N-[4-[2-[[5-tert-butyl-4-[(3R)-oxolan-3-yl]-1,3-thiazol-2-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
• SMILES: CC(=O)Nc1cc(Oc2cnc3nc(Nc4nc([C@H]5CCOC5)c(C(C)(C)C)s4)n(C)c3c2)ccn1
• InChI: InChI=1S/C25H29N7O3S/c1-14(33)28-19-11-16(6-8-26-19)35-17-10-18-22(27-12-17)30-23(32(18)5)31-24-29-20(15-7-9-34-13-15)21(36-24)25(2,3)4/h6,8,10-12,15H,7,9,13H2,1-5H3,(H,26,28,33)(H,27,29,30,31)/t15-/m0/s1
• InChIKey: CYKCFSSDCKNGAG-HNNXBMFYSA-N
• XLogP: 5.12
• TPSA: 116.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.62
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[5-tert-butyl-4-[(3R)-oxolan-3-yl]-1,3-thiazol-2-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?

The IUPAC name of N-[4-[2-[[5-tert-butyl-4-[(3R)-oxolan-3-yl]-1,3-thiazol-2-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide (CID 157042211) is N-[4-[2-[[5-tert-butyl-4-[(3R)-oxolan-3-yl]-1,3-thiazol-2-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide.

What is the SMILES notation for N-[4-[2-[[5-tert-butyl-4-[(3R)-oxolan-3-yl]-1,3-thiazol-2-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?

The canonical SMILES for N-[4-[2-[[5-tert-butyl-4-[(3R)-oxolan-3-yl]-1,3-thiazol-2-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide is CC(=O)Nc1cc(Oc2cnc3nc(Nc4nc([C@H]5CCOC5)c(C(C)(C)C)s4)n(C)c3c2)ccn1.

What is the InChIKey of N-[4-[2-[[5-tert-butyl-4-[(3R)-oxolan-3-yl]-1,3-thiazol-2-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?

The InChIKey is CYKCFSSDCKNGAG-HNNXBMFYSA-N. The full InChI is InChI=1S/C25H29N7O3S/c1-14(33)28-19-11-16(6-8-26-19)35-17-10-18-22(27-12-17)30-23(32(18)5)31-24-29-20(15-7-9-34-13-15)21(36-24)25(2,3)4/h6,8,10-12,15H,7,9,13H2,1-5H3,(H,26,28,33)(H,27,29,30,31)/t15-/m0/s1.

What are the key properties of N-[4-[2-[[5-tert-butyl-4-[(3R)-oxolan-3-yl]-1,3-thiazol-2-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?

N-[4-[2-[[5-tert-butyl-4-[(3R)-oxolan-3-yl]-1,3-thiazol-2-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide has a molecular weight of 507.62 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[[5-tert-butyl-4-[(3R)-oxolan-3-yl]-1,3-thiazol-2-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide is sourced from PubChem (CID 157042211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).