2-(5-azaspiro[2.4]heptan-5-yl)-N-[5-[[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]amino]-6-methyl-3-pyridinyl]acetamide

C26H33N11O2 — CID 167444100

IUPAC2-(5-azaspiro[2.4]heptan-5-yl)-N-[5-[[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]amino]-6-methyl-3-pyridinyl]acetamide
SMILESCOCCn1cc(Nc2ncc3c(Nc4cc(NC(=O)CN5CCC6(CC6)C5)cnc4C)nn(C)c3n2)cn1
InChIInChI=1S/C26H33N11O2/c1-17-21(10-18(11-27-17)30-22(38)15-36-7-6-26(16-36)4-5-26)32-23-20-13-28-25(33-24(20)35(2)34-23)31-19-12-29-37(14-19)8-9-39-3/h10-14H,4-9,15-16H2,1-3H3,(H,30,38)(H,32,34)(H,28,31,33)
InChIKeyOCJXOMRVAILXOE-UHFFFAOYSA-N
MW531.63 g/mol
LogP2.82
Rot. Bonds10

About 2-(5-azaspiro[2.4]heptan-5-yl)-N-[5-[[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]amino]-6-methyl-3-pyridinyl]acetamide

2-(5-azaspiro[2.4]heptan-5-yl)-N-[5-[[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]amino]-6-methyl-3-pyridinyl]acetamide (PubChem CID 167444100) has the molecular formula C26H33N11O2 and a molecular weight of 531.63 g/mol. Its IUPAC name is 2-(5-azaspiro[2.4]heptan-5-yl)-N-[5-[[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]amino]-6-methyl-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(5-azaspiro[2.4]heptan-5-yl)-N-[5-[[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]amino]-6-methyl-3-pyridinyl]acetamide
PubChem CID167444100
Molecular FormulaC26H33N11O2
Molecular Weight531.63 g/mol
Exact Mass531.28
IUPAC Name2-(5-azaspiro[2.4]heptan-5-yl)-N-[5-[[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]amino]-6-methyl-3-pyridinyl]acetamide
SMILESCOCCn1cc(Nc2ncc3c(Nc4cc(NC(=O)CN5CCC6(CC6)C5)cnc4C)nn(C)c3n2)cn1
InChIInChI=1S/C26H33N11O2/c1-17-21(10-18(11-27-17)30-22(38)15-36-7-6-26(16-36)4-5-26)32-23-20-13-28-25(33-24(20)35(2)34-23)31-19-12-29-37(14-19)8-9-39-3/h10-14H,4-9,15-16H2,1-3H3,(H,30,38)(H,32,34)(H,28,31,33)
InChIKeyOCJXOMRVAILXOE-UHFFFAOYSA-N
XLogP2.82
TPSA139.94 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.63
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 2-(5-azaspiro[2.4]heptan-5-yl)-N-[5-[[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]amino]-6-methyl-3-pyridinyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5-azaspiro[2.4]heptan-5-yl)-N-[5-[[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]amino]-6-methyl-3-pyridinyl]acetamide?
The IUPAC name of 2-(5-azaspiro[2.4]heptan-5-yl)-N-[5-[[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]amino]-6-methyl-3-pyridinyl]acetamide (CID 167444100) is 2-(5-azaspiro[2.4]heptan-5-yl)-N-[5-[[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]amino]-6-methyl-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(5-azaspiro[2.4]heptan-5-yl)-N-[5-[[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]amino]-6-methyl-3-pyridinyl]acetamide?
The canonical SMILES for 2-(5-azaspiro[2.4]heptan-5-yl)-N-[5-[[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]amino]-6-methyl-3-pyridinyl]acetamide is COCCn1cc(Nc2ncc3c(Nc4cc(NC(=O)CN5CCC6(CC6)C5)cnc4C)nn(C)c3n2)cn1.
What is the InChIKey of 2-(5-azaspiro[2.4]heptan-5-yl)-N-[5-[[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]amino]-6-methyl-3-pyridinyl]acetamide?
The InChIKey is OCJXOMRVAILXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N11O2/c1-17-21(10-18(11-27-17)30-22(38)15-36-7-6-26(16-36)4-5-26)32-23-20-13-28-25(33-24(20)35(2)34-23)31-19-12-29-37(14-19)8-9-39-3/h10-14H,4-9,15-16H2,1-3H3,(H,30,38)(H,32,34)(H,28,31,33).
What are the key properties of 2-(5-azaspiro[2.4]heptan-5-yl)-N-[5-[[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]amino]-6-methyl-3-pyridinyl]acetamide?
2-(5-azaspiro[2.4]heptan-5-yl)-N-[5-[[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]amino]-6-methyl-3-pyridinyl]acetamide has a molecular weight of 531.63 g/mol, XLogP of 2.82, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-azaspiro[2.4]heptan-5-yl)-N-[5-[[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]amino]-6-methyl-3-pyridinyl]acetamide is sourced from PubChem (CID 167444100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).