4-[2-methyl-3-(2-phenoxypropyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

C21H22N6O — CID 135335804

IUPAC4-[2-methyl-3-(2-phenoxypropyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
SMILESCc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CC(C)Oc1ccccc1
InChIInChI=1S/C21H22N6O/c1-13(28-16-6-4-3-5-7-16)12-27-14(2)24-18-9-8-17(25-21(18)27)15-10-19(22)26-20(23)11-15/h3-11,13H,12H2,1-2H3,(H4,22,23,26)
InChIKeyPUGXENIKUPHCAF-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.43
Rot. Bonds5

About 4-[2-methyl-3-(2-phenoxypropyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

4-[2-methyl-3-(2-phenoxypropyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine (PubChem CID 135335804) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 4-[2-methyl-3-(2-phenoxypropyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine.

Molecular Properties

Compound Name4-[2-methyl-3-(2-phenoxypropyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
PubChem CID135335804
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name4-[2-methyl-3-(2-phenoxypropyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
SMILESCc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CC(C)Oc1ccccc1
InChIInChI=1S/C21H22N6O/c1-13(28-16-6-4-3-5-7-16)12-27-14(2)24-18-9-8-17(25-21(18)27)15-10-19(22)26-20(23)11-15/h3-11,13H,12H2,1-2H3,(H4,22,23,26)
InChIKeyPUGXENIKUPHCAF-UHFFFAOYSA-N
XLogP3.43
TPSA104.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-3-(2-phenoxypropyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The IUPAC name of 4-[2-methyl-3-(2-phenoxypropyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine (CID 135335804) is 4-[2-methyl-3-(2-phenoxypropyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine.
What is the SMILES notation for 4-[2-methyl-3-(2-phenoxypropyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The canonical SMILES for 4-[2-methyl-3-(2-phenoxypropyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine is Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CC(C)Oc1ccccc1.
What is the InChIKey of 4-[2-methyl-3-(2-phenoxypropyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The InChIKey is PUGXENIKUPHCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-13(28-16-6-4-3-5-7-16)12-27-14(2)24-18-9-8-17(25-21(18)27)15-10-19(22)26-20(23)11-15/h3-11,13H,12H2,1-2H3,(H4,22,23,26).
What are the key properties of 4-[2-methyl-3-(2-phenoxypropyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
4-[2-methyl-3-(2-phenoxypropyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine has a molecular weight of 374.45 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-3-(2-phenoxypropyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine is sourced from PubChem (CID 135335804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).