1-[4-[[5-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one

C23H26N8O — CID 168773763

IUPAC1-[4-[[5-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one
SMILESCc1nnc2ccc(-c3c[nH]c4nc(NC5CCC(N6CCCC6=O)CC5)ncc34)cn12
InChIInChI=1S/C23H26N8O/c1-14-28-29-20-9-4-15(13-31(14)20)18-11-24-22-19(18)12-25-23(27-22)26-16-5-7-17(8-6-16)30-10-2-3-21(30)32/h4,9,11-13,16-17H,2-3,5-8,10H2,1H3,(H2,24,25,26,27)
InChIKeyRHEGZHDLGJMAOQ-UHFFFAOYSA-N
MW430.52 g/mol
LogP3.32
Rot. Bonds4

About 1-[4-[[5-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one

1-[4-[[5-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one (PubChem CID 168773763) has the molecular formula C23H26N8O and a molecular weight of 430.52 g/mol. Its IUPAC name is 1-[4-[[5-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[[5-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one
PubChem CID168773763
Molecular FormulaC23H26N8O
Molecular Weight430.52 g/mol
Exact Mass430.22
IUPAC Name1-[4-[[5-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one
SMILESCc1nnc2ccc(-c3c[nH]c4nc(NC5CCC(N6CCCC6=O)CC5)ncc34)cn12
InChIInChI=1S/C23H26N8O/c1-14-28-29-20-9-4-15(13-31(14)20)18-11-24-22-19(18)12-25-23(27-22)26-16-5-7-17(8-6-16)30-10-2-3-21(30)32/h4,9,11-13,16-17H,2-3,5-8,10H2,1H3,(H2,24,25,26,27)
InChIKeyRHEGZHDLGJMAOQ-UHFFFAOYSA-N
XLogP3.32
TPSA104.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-[[5-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[[5-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one (CID 168773763) is 1-[4-[[5-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[[5-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[[5-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one is Cc1nnc2ccc(-c3c[nH]c4nc(NC5CCC(N6CCCC6=O)CC5)ncc34)cn12.
What is the InChIKey of 1-[4-[[5-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one?
The InChIKey is RHEGZHDLGJMAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O/c1-14-28-29-20-9-4-15(13-31(14)20)18-11-24-22-19(18)12-25-23(27-22)26-16-5-7-17(8-6-16)30-10-2-3-21(30)32/h4,9,11-13,16-17H,2-3,5-8,10H2,1H3,(H2,24,25,26,27).
What are the key properties of 1-[4-[[5-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one?
1-[4-[[5-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one has a molecular weight of 430.52 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one is sourced from PubChem (CID 168773763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).