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

C22H24N8O — CID 168773107

IUPAC[1-methyl-3-[[5-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclobutyl]-pyrrolidin-1-ylmethanone
SMILESCC1(C(=O)N2CCCC2)CC(Nc2ncc3c(-c4ccc5nncn5c4)c[nH]c3n2)C1
InChIInChI=1S/C22H24N8O/c1-22(20(31)29-6-2-3-7-29)8-15(9-22)26-21-24-11-17-16(10-23-19(17)27-21)14-4-5-18-28-25-13-30(18)12-14/h4-5,10-13,15H,2-3,6-9H2,1H3,(H2,23,24,26,27)
InChIKeyRFYFHMKQPUDRRR-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.87
Rot. Bonds4

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

[1-methyl-3-[[5-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclobutyl]-pyrrolidin-1-ylmethanone (PubChem CID 168773107) has the molecular formula C22H24N8O and a molecular weight of 416.49 g/mol. Its IUPAC name is [1-methyl-3-[[5-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclobutyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-methyl-3-[[5-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclobutyl]-pyrrolidin-1-ylmethanone
PubChem CID168773107
Molecular FormulaC22H24N8O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name[1-methyl-3-[[5-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclobutyl]-pyrrolidin-1-ylmethanone
SMILESCC1(C(=O)N2CCCC2)CC(Nc2ncc3c(-c4ccc5nncn5c4)c[nH]c3n2)C1
InChIInChI=1S/C22H24N8O/c1-22(20(31)29-6-2-3-7-29)8-15(9-22)26-21-24-11-17-16(10-23-19(17)27-21)14-4-5-18-28-25-13-30(18)12-14/h4-5,10-13,15H,2-3,6-9H2,1H3,(H2,23,24,26,27)
InChIKeyRFYFHMKQPUDRRR-UHFFFAOYSA-N
XLogP2.87
TPSA104.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-[1-methyl-3-[[5-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclobutyl]pyrrolidin-2-one
CID 168772238
N,N-dimethyl-4-[[5-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide
CID 168773855
[3-[[5-[3-(2,2-difluoroethyl)benzotriazol-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclobutyl]-pyrrolidin-1-ylmethanone
CID 168772929
[1-methyl-3-[(5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]cyclobutyl]-pyrrolidin-1-ylmethanone
CID 168772673
[3-[[5-[3-(2,2-difluoroethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclobutyl]-pyrrolidin-1-ylmethanone
CID 168774027
1-[2-[(5-imidazo[1,2-a]pyrimidin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-7-azaspiro[3.5]nonan-7-yl]ethanone
CID 168773690
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
1-[4-[(5-cinnolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]ethanone
CID 168773965
1-[2-[(5-imidazo[1,2-b]pyridazin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-7-azaspiro[3.5]nonan-7-yl]ethanone
CID 168773684
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
1-[(3aR,6aS)-5-[(5-cinnolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone
CID 168773230
1-ethyl-4-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 168773971

Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-[[5-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclobutyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-methyl-3-[[5-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclobutyl]-pyrrolidin-1-ylmethanone (CID 168773107) is [1-methyl-3-[[5-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclobutyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-methyl-3-[[5-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclobutyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-methyl-3-[[5-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclobutyl]-pyrrolidin-1-ylmethanone is CC1(C(=O)N2CCCC2)CC(Nc2ncc3c(-c4ccc5nncn5c4)c[nH]c3n2)C1.
What is the InChIKey of [1-methyl-3-[[5-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclobutyl]-pyrrolidin-1-ylmethanone?
The InChIKey is RFYFHMKQPUDRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O/c1-22(20(31)29-6-2-3-7-29)8-15(9-22)26-21-24-11-17-16(10-23-19(17)27-21)14-4-5-18-28-25-13-30(18)12-14/h4-5,10-13,15H,2-3,6-9H2,1H3,(H2,23,24,26,27).
What are the key properties of [1-methyl-3-[[5-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclobutyl]-pyrrolidin-1-ylmethanone?
[1-methyl-3-[[5-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclobutyl]-pyrrolidin-1-ylmethanone has a molecular weight of 416.49 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-[[5-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclobutyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 168773107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).