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

C20H23N9O — CID 167163625

IUPAC5-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
SMILESCc1cc2ncnn2cc1Nc1ncc2c(n1)N1C(=NCC13CCCOCC3)N2C
InChIInChI=1S/C20H23N9O/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)4-3-6-30-7-5-20/h8-10,12H,3-7,11H2,1-2H3,(H,21,25,26)
InChIKeySQILLTWGYZDAKO-UHFFFAOYSA-N
MW405.47 g/mol
LogP2.14
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-8,4'-oxepane]-2-amine

5-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[7H-purino[9,8-a]imidazole-8,4'-oxepane]-2-amine (PubChem CID 167163625) has the molecular formula C20H23N9O and a molecular weight of 405.47 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-8,4'-oxepane]-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-8,4'-oxepane]-2-amine
PubChem CID167163625
Molecular FormulaC20H23N9O
Molecular Weight405.47 g/mol
Exact Mass405.20
IUPAC Name5-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
SMILESCc1cc2ncnn2cc1Nc1ncc2c(n1)N1C(=NCC13CCCOCC3)N2C
InChIInChI=1S/C20H23N9O/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)4-3-6-30-7-5-20/h8-10,12H,3-7,11H2,1-2H3,(H,21,25,26)
InChIKeySQILLTWGYZDAKO-UHFFFAOYSA-N
XLogP2.14
TPSA96.07 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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
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
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
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'-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-[(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
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
4-[7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-8-oxopurin-9-yl]oxane-4-carboxamide
CID 162680352
8-imino-7-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-9-(oxan-4-yl)purin-2-amine
CID 162352716
N-[5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]-N-(oxan-4-yl)propanamide
CID 166078727
3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 155365359
4-[7-(fluoromethyl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-8-oxopurin-9-yl]oxane-4-carbonitrile
CID 172715716

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-8,4'-oxepane]-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-8,4'-oxepane]-2-amine (CID 167163625) is 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.
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-8,4'-oxepane]-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-8,4'-oxepane]-2-amine is Cc1cc2ncnn2cc1Nc1ncc2c(n1)N1C(=NCC13CCCOCC3)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-8,4'-oxepane]-2-amine?
The InChIKey is SQILLTWGYZDAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N9O/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)4-3-6-30-7-5-20/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-8,4'-oxepane]-2-amine?
5-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[7H-purino[9,8-a]imidazole-8,4'-oxepane]-2-amine has a molecular weight of 405.47 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 10 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-8,4'-oxepane]-2-amine is sourced from PubChem (CID 167163625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).