N-[4-[2-[[5-tert-butyl-1-(5-oxaspiro[2.4]heptan-7-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide

C27H32N8O3 — CID 167272021

About N-[4-[2-[[5-tert-butyl-1-(5-oxaspiro[2.4]heptan-7-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide

N-[4-[2-[[5-tert-butyl-1-(5-oxaspiro[2.4]heptan-7-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide (PubChem CID 167272021) has the molecular formula C27H32N8O3 and a molecular weight of 516.61 g/mol. Its IUPAC name is N-[4-[2-[[5-tert-butyl-1-(5-oxaspiro[2.4]heptan-7-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[2-[[5-tert-butyl-1-(5-oxaspiro[2.4]heptan-7-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
• PubChem CID: 167272021
• Molecular Formula: C27H32N8O3
• Molecular Weight: 516.61 g/mol
• Exact Mass: 516.26
• IUPAC Name: N-[4-[2-[[5-tert-butyl-1-(5-oxaspiro[2.4]heptan-7-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
• SMILES: CC(=O)Nc1cc(Oc2cnc3nc(Nc4cc(C(C)(C)C)n(C5COCC56CC6)n4)n(C)c3c2)ccn1
• InChI: InChI=1S/C27H32N8O3/c1-16(36)30-22-11-17(6-9-28-22)38-18-10-19-24(29-13-18)32-25(34(19)5)31-23-12-20(26(2,3)4)35(33-23)21-14-37-15-27(21)7-8-27/h6,9-13,21H,7-8,14-15H2,1-5H3,(H,28,30,36)(H,29,31,32,33)
• InChIKey: OVHKHBDOAPLEQW-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 121.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.61
LogP ≤ 5	4.70
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-1-(5-oxaspiro[2.4]heptan-7-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?

The IUPAC name of N-[4-[2-[[5-tert-butyl-1-(5-oxaspiro[2.4]heptan-7-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide (CID 167272021) is N-[4-[2-[[5-tert-butyl-1-(5-oxaspiro[2.4]heptan-7-yl)pyrazol-3-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-1-(5-oxaspiro[2.4]heptan-7-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?

The canonical SMILES for N-[4-[2-[[5-tert-butyl-1-(5-oxaspiro[2.4]heptan-7-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide is CC(=O)Nc1cc(Oc2cnc3nc(Nc4cc(C(C)(C)C)n(C5COCC56CC6)n4)n(C)c3c2)ccn1.

What is the InChIKey of N-[4-[2-[[5-tert-butyl-1-(5-oxaspiro[2.4]heptan-7-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?

The InChIKey is OVHKHBDOAPLEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N8O3/c1-16(36)30-22-11-17(6-9-28-22)38-18-10-19-24(29-13-18)32-25(34(19)5)31-23-12-20(26(2,3)4)35(33-23)21-14-37-15-27(21)7-8-27/h6,9-13,21H,7-8,14-15H2,1-5H3,(H,28,30,36)(H,29,31,32,33).

What are the key properties of N-[4-[2-[[5-tert-butyl-1-(5-oxaspiro[2.4]heptan-7-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?

N-[4-[2-[[5-tert-butyl-1-(5-oxaspiro[2.4]heptan-7-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide has a molecular weight of 516.61 g/mol, XLogP of 4.70, 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-1-(5-oxaspiro[2.4]heptan-7-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide is sourced from PubChem (CID 167272021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).