5-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[7H-purino[9,8-a]imidazole-8,1'-cyclohexane]-2-amine

C20H23N9 — CID 164568765

IUPAC5-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[7H-purino[9,8-a]imidazole-8,1'-cyclohexane]-2-amine
SMILESCc1cc2ncnn2cc1Nc1ncc2c(n1)N1C(=NCC13CCCCC3)N2C
InChIInChI=1S/C20H23N9/c1-13-8-16-23-12-24-28(16)10-14(13)25-18-21-9-15-17(26-18)29-19(27(15)2)22-11-20(29)6-4-3-5-7-20/h8-10,12H,3-7,11H2,1-2H3,(H,21,25,26)
InChIKeyWLEMRVNJDNUNIM-UHFFFAOYSA-N
MW389.47 g/mol
LogP2.90
Rot. Bonds2

About 5-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[7H-purino[9,8-a]imidazole-8,1'-cyclohexane]-2-amine

5-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[7H-purino[9,8-a]imidazole-8,1'-cyclohexane]-2-amine (PubChem CID 164568765) has the molecular formula C20H23N9 and a molecular weight of 389.47 g/mol. Its IUPAC name is 5-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[7H-purino[9,8-a]imidazole-8,1'-cyclohexane]-2-amine.

Molecular Properties

Compound Name5-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[7H-purino[9,8-a]imidazole-8,1'-cyclohexane]-2-amine
PubChem CID164568765
Molecular FormulaC20H23N9
Molecular Weight389.47 g/mol
Exact Mass389.21
IUPAC Name5-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[7H-purino[9,8-a]imidazole-8,1'-cyclohexane]-2-amine
SMILESCc1cc2ncnn2cc1Nc1ncc2c(n1)N1C(=NCC13CCCCC3)N2C
InChIInChI=1S/C20H23N9/c1-13-8-16-23-12-24-28(16)10-14(13)25-18-21-9-15-17(26-18)29-19(27(15)2)22-11-20(29)6-4-3-5-7-20/h8-10,12H,3-7,11H2,1-2H3,(H,21,25,26)
InChIKeyWLEMRVNJDNUNIM-UHFFFAOYSA-N
XLogP2.90
TPSA86.84 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[7H-purino[9,8-a]imidazole-8,1'-cyclohexane]-2-amine with MolForge

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Related Compounds

5-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1',1'-dioxospiro[7H-purino[9,8-a]imidazole-8,4'-thiane]-2-amine
CID 167163686
5-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[7H-purino[9,8-a]imidazole-8,4'-oxepane]-2-amine
CID 167163625
2-[5,8-dimethyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-7H-purino[9,8-a]imidazol-8-yl]ethanol
CID 164568783
5'-methyl-2'-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]spiro[cyclohexane-1,7'-pyrrolo[3,2-d]pyrimidine]-6'-one
CID 167362920
8-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-7H-pteridin-6-one
CID 176845867
5-cyclohexyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7,8-dihydropurino[7,8-a]imidazol-3-amine
CID 166810590
8-[(3S)-3-fluoro-1-bicyclo[2.1.1]hexanyl]-5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-7H-pteridin-6-one
CID 177194134
2,3,5'-trimethyl-2'-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]spiro[2,3,4,6-tetrahydroborepine-5,7'-pyrrolo[3,2-d]pyrimidine]-6'-one
CID 174043317
N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7,8-dihydro-6H-purino[7,8-a]imidazol-3-amine
CID 166810707
9-(3-hydroxy-3-methylcyclohexyl)-7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one
CID 156576424
1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 155365171
9-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]-7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one
CID 156576529

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[7H-purino[9,8-a]imidazole-8,1'-cyclohexane]-2-amine?
The IUPAC name of 5-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[7H-purino[9,8-a]imidazole-8,1'-cyclohexane]-2-amine (CID 164568765) is 5-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[7H-purino[9,8-a]imidazole-8,1'-cyclohexane]-2-amine.
What is the SMILES notation for 5-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[7H-purino[9,8-a]imidazole-8,1'-cyclohexane]-2-amine?
The canonical SMILES for 5-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[7H-purino[9,8-a]imidazole-8,1'-cyclohexane]-2-amine is Cc1cc2ncnn2cc1Nc1ncc2c(n1)N1C(=NCC13CCCCC3)N2C.
What is the InChIKey of 5-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[7H-purino[9,8-a]imidazole-8,1'-cyclohexane]-2-amine?
The InChIKey is WLEMRVNJDNUNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N9/c1-13-8-16-23-12-24-28(16)10-14(13)25-18-21-9-15-17(26-18)29-19(27(15)2)22-11-20(29)6-4-3-5-7-20/h8-10,12H,3-7,11H2,1-2H3,(H,21,25,26).
What are the key properties of 5-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[7H-purino[9,8-a]imidazole-8,1'-cyclohexane]-2-amine?
5-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[7H-purino[9,8-a]imidazole-8,1'-cyclohexane]-2-amine has a molecular weight of 389.47 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[7H-purino[9,8-a]imidazole-8,1'-cyclohexane]-2-amine is sourced from PubChem (CID 164568765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).