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

C18H21N9O — CID 164568783

IUPAC2-[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
SMILESCc1cc2ncnn2cc1Nc1ncc2c(n1)N1C(=NCC1(C)CCO)N2C
InChIInChI=1S/C18H21N9O/c1-11-6-14-21-10-22-26(14)8-12(11)23-16-19-7-13-15(24-16)27-17(25(13)3)20-9-18(27,2)4-5-28/h6-8,10,28H,4-5,9H2,1-3H3,(H,19,23,24)
InChIKeyGWPZQZFKMROHCO-UHFFFAOYSA-N
MW379.43 g/mol
LogP1.34
Rot. Bonds4

About 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

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 (PubChem CID 164568783) has the molecular formula C18H21N9O and a molecular weight of 379.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID164568783
Molecular FormulaC18H21N9O
Molecular Weight379.43 g/mol
Exact Mass379.19
IUPAC Name2-[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
SMILESCc1cc2ncnn2cc1Nc1ncc2c(n1)N1C(=NCC1(C)CCO)N2C
InChIInChI=1S/C18H21N9O/c1-11-6-14-21-10-22-26(14)8-12(11)23-16-19-7-13-15(24-16)27-17(25(13)3)20-9-18(27,2)4-5-28/h6-8,10,28H,4-5,9H2,1-3H3,(H,19,23,24)
InChIKeyGWPZQZFKMROHCO-UHFFFAOYSA-N
XLogP1.34
TPSA107.07 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 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
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
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
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'-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
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
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
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
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
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
4-[7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-8-oxopurin-9-yl]cyclohexane-1-carbonitrile
CID 156576393

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc2ncnn2cc1Nc1ncc2c(n1)N1C(=NCC1(C)CCO)N2C.
What is the InChIKey of 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?
The InChIKey is GWPZQZFKMROHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N9O/c1-11-6-14-21-10-22-26(14)8-12(11)23-16-19-7-13-15(24-16)27-17(25(13)3)20-9-18(27,2)4-5-28/h6-8,10,28H,4-5,9H2,1-3H3,(H,19,23,24).
What are the key properties of 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?
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 has a molecular weight of 379.43 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164568783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).