5-methyl-6-[[6-(3-methylimidazol-4-yl)-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine

C16H15N7O — CID 134229616

IUPAC5-methyl-6-[[6-(3-methylimidazol-4-yl)-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1Cc1cccc(-c2cncn2C)n1
InChIInChI=1S/C16H15N7O/c1-9-11(14(17)15-16(19-9)22-24-21-15)6-10-4-3-5-12(20-10)13-7-18-8-23(13)2/h3-5,7-8H,6,17H2,1-2H3
InChIKeyHXHGAOIYHKXTPA-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.89
Rot. Bonds3

About 5-methyl-6-[[6-(3-methylimidazol-4-yl)-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine

5-methyl-6-[[6-(3-methylimidazol-4-yl)-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (PubChem CID 134229616) has the molecular formula C16H15N7O and a molecular weight of 321.34 g/mol. Its IUPAC name is 5-methyl-6-[[6-(3-methylimidazol-4-yl)-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.

Molecular Properties

Compound Name5-methyl-6-[[6-(3-methylimidazol-4-yl)-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
PubChem CID134229616
Molecular FormulaC16H15N7O
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC Name5-methyl-6-[[6-(3-methylimidazol-4-yl)-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1Cc1cccc(-c2cncn2C)n1
InChIInChI=1S/C16H15N7O/c1-9-11(14(17)15-16(19-9)22-24-21-15)6-10-4-3-5-12(20-10)13-7-18-8-23(13)2/h3-5,7-8H,6,17H2,1-2H3
InChIKeyHXHGAOIYHKXTPA-UHFFFAOYSA-N
XLogP1.89
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[[6-(3-methylimidazol-4-yl)-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The IUPAC name of 5-methyl-6-[[6-(3-methylimidazol-4-yl)-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (CID 134229616) is 5-methyl-6-[[6-(3-methylimidazol-4-yl)-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.
What is the SMILES notation for 5-methyl-6-[[6-(3-methylimidazol-4-yl)-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The canonical SMILES for 5-methyl-6-[[6-(3-methylimidazol-4-yl)-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is Cc1nc2nonc2c(N)c1Cc1cccc(-c2cncn2C)n1.
What is the InChIKey of 5-methyl-6-[[6-(3-methylimidazol-4-yl)-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The InChIKey is HXHGAOIYHKXTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O/c1-9-11(14(17)15-16(19-9)22-24-21-15)6-10-4-3-5-12(20-10)13-7-18-8-23(13)2/h3-5,7-8H,6,17H2,1-2H3.
What are the key properties of 5-methyl-6-[[6-(3-methylimidazol-4-yl)-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
5-methyl-6-[[6-(3-methylimidazol-4-yl)-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine has a molecular weight of 321.34 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[[6-(3-methylimidazol-4-yl)-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is sourced from PubChem (CID 134229616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).