1-[7-[[5-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-azaspiro[3.5]nonan-2-yl]ethanone

C23H26N8O — CID 168772565

IUPAC1-[7-[[5-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-azaspiro[3.5]nonan-2-yl]ethanone
SMILESCC(=O)N1CC2(CCC(Nc3ncc4c(-c5ccc6nnc(C)n6c5)c[nH]c4n3)CC2)C1
InChIInChI=1S/C23H26N8O/c1-14-28-29-20-4-3-16(11-31(14)20)18-9-24-21-19(18)10-25-22(27-21)26-17-5-7-23(8-6-17)12-30(13-23)15(2)32/h3-4,9-11,17H,5-8,12-13H2,1-2H3,(H2,24,25,26,27)
InChIKeyNPKPZHPEYUOMPO-UHFFFAOYSA-N
MW430.52 g/mol
LogP3.18
Rot. Bonds3

About 1-[7-[[5-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-azaspiro[3.5]nonan-2-yl]ethanone

1-[7-[[5-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-azaspiro[3.5]nonan-2-yl]ethanone (PubChem CID 168772565) has the molecular formula C23H26N8O and a molecular weight of 430.52 g/mol. Its IUPAC name is 1-[7-[[5-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-azaspiro[3.5]nonan-2-yl]ethanone.

Molecular Properties

Compound Name1-[7-[[5-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-azaspiro[3.5]nonan-2-yl]ethanone
PubChem CID168772565
Molecular FormulaC23H26N8O
Molecular Weight430.52 g/mol
Exact Mass430.22
IUPAC Name1-[7-[[5-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-azaspiro[3.5]nonan-2-yl]ethanone
SMILESCC(=O)N1CC2(CCC(Nc3ncc4c(-c5ccc6nnc(C)n6c5)c[nH]c4n3)CC2)C1
InChIInChI=1S/C23H26N8O/c1-14-28-29-20-4-3-16(11-31(14)20)18-9-24-21-19(18)10-25-22(27-21)26-17-5-7-23(8-6-17)12-30(13-23)15(2)32/h3-4,9-11,17H,5-8,12-13H2,1-2H3,(H2,24,25,26,27)
InChIKeyNPKPZHPEYUOMPO-UHFFFAOYSA-N
XLogP3.18
TPSA104.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[7-[[5-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-azaspiro[3.5]nonan-2-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[7-[[5-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-azaspiro[3.5]nonan-2-yl]ethanone?
The IUPAC name of 1-[7-[[5-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-azaspiro[3.5]nonan-2-yl]ethanone (CID 168772565) is 1-[7-[[5-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-azaspiro[3.5]nonan-2-yl]ethanone.
What is the SMILES notation for 1-[7-[[5-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-azaspiro[3.5]nonan-2-yl]ethanone?
The canonical SMILES for 1-[7-[[5-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-azaspiro[3.5]nonan-2-yl]ethanone is CC(=O)N1CC2(CCC(Nc3ncc4c(-c5ccc6nnc(C)n6c5)c[nH]c4n3)CC2)C1.
What is the InChIKey of 1-[7-[[5-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-azaspiro[3.5]nonan-2-yl]ethanone?
The InChIKey is NPKPZHPEYUOMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O/c1-14-28-29-20-4-3-16(11-31(14)20)18-9-24-21-19(18)10-25-22(27-21)26-17-5-7-23(8-6-17)12-30(13-23)15(2)32/h3-4,9-11,17H,5-8,12-13H2,1-2H3,(H2,24,25,26,27).
What are the key properties of 1-[7-[[5-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-azaspiro[3.5]nonan-2-yl]ethanone?
1-[7-[[5-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-azaspiro[3.5]nonan-2-yl]ethanone has a molecular weight of 430.52 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[[5-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-azaspiro[3.5]nonan-2-yl]ethanone is sourced from PubChem (CID 168772565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).