7-methyl-3-[(2-methyloxolan-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine

C13H18N4O — CID 114106578

IUPAC7-methyl-3-[(2-methyloxolan-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine
SMILESCc1ccnc2c1nc(N)n2CC1CCOC1C
InChIInChI=1S/C13H18N4O/c1-8-3-5-15-12-11(8)16-13(14)17(12)7-10-4-6-18-9(10)2/h3,5,9-10H,4,6-7H2,1-2H3,(H2,14,16)
InChIKeyCPCOPGIKKWCYLK-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.75
Rot. Bonds2

About 7-methyl-3-[(2-methyloxolan-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine

7-methyl-3-[(2-methyloxolan-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine (PubChem CID 114106578) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 7-methyl-3-[(2-methyloxolan-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name7-methyl-3-[(2-methyloxolan-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine
PubChem CID114106578
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name7-methyl-3-[(2-methyloxolan-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine
SMILESCc1ccnc2c1nc(N)n2CC1CCOC1C
InChIInChI=1S/C13H18N4O/c1-8-3-5-15-12-11(8)16-13(14)17(12)7-10-4-6-18-9(10)2/h3,5,9-10H,4,6-7H2,1-2H3,(H2,14,16)
InChIKeyCPCOPGIKKWCYLK-UHFFFAOYSA-N
XLogP1.75
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[(2-methyloxolan-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 7-methyl-3-[(2-methyloxolan-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine (CID 114106578) is 7-methyl-3-[(2-methyloxolan-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 7-methyl-3-[(2-methyloxolan-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 7-methyl-3-[(2-methyloxolan-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine is Cc1ccnc2c1nc(N)n2CC1CCOC1C.
What is the InChIKey of 7-methyl-3-[(2-methyloxolan-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine?
The InChIKey is CPCOPGIKKWCYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-8-3-5-15-12-11(8)16-13(14)17(12)7-10-4-6-18-9(10)2/h3,5,9-10H,4,6-7H2,1-2H3,(H2,14,16).
What are the key properties of 7-methyl-3-[(2-methyloxolan-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine?
7-methyl-3-[(2-methyloxolan-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine has a molecular weight of 246.31 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[(2-methyloxolan-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 114106578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).