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

C22H24N8O — CID 168772681

IUPAC1-[4-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCC(Nc2ncc3c(-c4ccc5ncnn5c4)c[nH]c3n2)CC1
InChIInChI=1S/C22H24N8O/c31-20-2-1-9-29(20)16-6-4-15(5-7-16)27-22-24-11-18-17(10-23-21(18)28-22)14-3-8-19-25-13-26-30(19)12-14/h3,8,10-13,15-16H,1-2,4-7,9H2,(H2,23,24,27,28)
InChIKeyRFMHHZKSJJGLIA-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.01
Rot. Bonds4

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

1-[4-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one (PubChem CID 168772681) has the molecular formula C22H24N8O and a molecular weight of 416.49 g/mol. Its IUPAC name is 1-[4-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one
PubChem CID168772681
Molecular FormulaC22H24N8O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name1-[4-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCC(Nc2ncc3c(-c4ccc5ncnn5c4)c[nH]c3n2)CC1
InChIInChI=1S/C22H24N8O/c31-20-2-1-9-29(20)16-6-4-15(5-7-16)27-22-24-11-18-17(10-23-21(18)28-22)14-3-8-19-25-13-26-30(19)12-14/h3,8,10-13,15-16H,1-2,4-7,9H2,(H2,23,24,27,28)
InChIKeyRFMHHZKSJJGLIA-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

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
N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168772917
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
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
1-[4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one
CID 166271542
5-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(1-methylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773129
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
[4-[(5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-pyrrolidin-1-ylmethanone
CID 168773560
N-(2,2-difluoroethyl)-6-[2-[[4-(trifluoromethoxy)cyclohexyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 168773207
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-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
6-[2-[(4-methoxycyclohexyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-4,4-dimethyl-2,3-dihydroisoquinolin-1-one
CID 168772886

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one (CID 168772681) is 1-[4-[[5-([1,2,4]triazolo[1,5-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-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one is O=C1CCCN1C1CCC(Nc2ncc3c(-c4ccc5ncnn5c4)c[nH]c3n2)CC1.
What is the InChIKey of 1-[4-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one?
The InChIKey is RFMHHZKSJJGLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O/c31-20-2-1-9-29(20)16-6-4-15(5-7-16)27-22-24-11-18-17(10-23-21(18)28-22)14-3-8-19-25-13-26-30(19)12-14/h3,8,10-13,15-16H,1-2,4-7,9H2,(H2,23,24,27,28).
What are the key properties of 1-[4-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one?
1-[4-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one has a molecular weight of 416.49 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one is sourced from PubChem (CID 168772681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).