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

C20H21N7O — CID 135335882

IUPAC4-[2-methyl-3-(2-pyridin-2-yloxypropyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
SMILESCc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CC(C)Oc1ccccn1
InChIInChI=1S/C20H21N7O/c1-12(28-19-5-3-4-8-23-19)11-27-13(2)24-16-7-6-15(25-20(16)27)14-9-17(21)26-18(22)10-14/h3-10,12H,11H2,1-2H3,(H4,21,22,26)
InChIKeyCCUMIOKJQCVBML-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.83
Rot. Bonds5

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

4-[2-methyl-3-(2-pyridin-2-yloxypropyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine (PubChem CID 135335882) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 4-[2-methyl-3-(2-pyridin-2-yloxypropyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine.

Molecular Properties

Compound Name4-[2-methyl-3-(2-pyridin-2-yloxypropyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
PubChem CID135335882
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name4-[2-methyl-3-(2-pyridin-2-yloxypropyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
SMILESCc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CC(C)Oc1ccccn1
InChIInChI=1S/C20H21N7O/c1-12(28-19-5-3-4-8-23-19)11-27-13(2)24-16-7-6-15(25-20(16)27)14-9-17(21)26-18(22)10-14/h3-10,12H,11H2,1-2H3,(H4,21,22,26)
InChIKeyCCUMIOKJQCVBML-UHFFFAOYSA-N
XLogP2.83
TPSA117.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-3-(2-pyridin-2-yloxypropyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The IUPAC name of 4-[2-methyl-3-(2-pyridin-2-yloxypropyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine (CID 135335882) is 4-[2-methyl-3-(2-pyridin-2-yloxypropyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine.
What is the SMILES notation for 4-[2-methyl-3-(2-pyridin-2-yloxypropyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The canonical SMILES for 4-[2-methyl-3-(2-pyridin-2-yloxypropyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine is Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CC(C)Oc1ccccn1.
What is the InChIKey of 4-[2-methyl-3-(2-pyridin-2-yloxypropyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The InChIKey is CCUMIOKJQCVBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c1-12(28-19-5-3-4-8-23-19)11-27-13(2)24-16-7-6-15(25-20(16)27)14-9-17(21)26-18(22)10-14/h3-10,12H,11H2,1-2H3,(H4,21,22,26).
What are the key properties of 4-[2-methyl-3-(2-pyridin-2-yloxypropyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
4-[2-methyl-3-(2-pyridin-2-yloxypropyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine has a molecular weight of 375.44 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-3-(2-pyridin-2-yloxypropyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine is sourced from PubChem (CID 135335882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).