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

C17H22N6 — CID 135335983

IUPAC4-(2-methyl-3-pentan-2-ylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine
SMILESCCCC(C)n1c(C)nc2ccc(-c3cc(N)nc(N)c3)nc21
InChIInChI=1S/C17H22N6/c1-4-5-10(2)23-11(3)20-14-7-6-13(21-17(14)23)12-8-15(18)22-16(19)9-12/h6-10H,4-5H2,1-3H3,(H4,18,19,22)
InChIKeyRRGMXPBLKOSREJ-UHFFFAOYSA-N
MW310.41 g/mol
LogP3.33
Rot. Bonds4

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

4-(2-methyl-3-pentan-2-ylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine (PubChem CID 135335983) has the molecular formula C17H22N6 and a molecular weight of 310.41 g/mol. Its IUPAC name is 4-(2-methyl-3-pentan-2-ylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine.

Molecular Properties

Compound Name4-(2-methyl-3-pentan-2-ylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine
PubChem CID135335983
Molecular FormulaC17H22N6
Molecular Weight310.41 g/mol
Exact Mass310.19
IUPAC Name4-(2-methyl-3-pentan-2-ylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine
SMILESCCCC(C)n1c(C)nc2ccc(-c3cc(N)nc(N)c3)nc21
InChIInChI=1S/C17H22N6/c1-4-5-10(2)23-11(3)20-14-7-6-13(21-17(14)23)12-8-15(18)22-16(19)9-12/h6-10H,4-5H2,1-3H3,(H4,18,19,22)
InChIKeyRRGMXPBLKOSREJ-UHFFFAOYSA-N
XLogP3.33
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-3-pentan-2-ylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine?
The IUPAC name of 4-(2-methyl-3-pentan-2-ylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine (CID 135335983) is 4-(2-methyl-3-pentan-2-ylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine.
What is the SMILES notation for 4-(2-methyl-3-pentan-2-ylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine?
The canonical SMILES for 4-(2-methyl-3-pentan-2-ylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine is CCCC(C)n1c(C)nc2ccc(-c3cc(N)nc(N)c3)nc21.
What is the InChIKey of 4-(2-methyl-3-pentan-2-ylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine?
The InChIKey is RRGMXPBLKOSREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6/c1-4-5-10(2)23-11(3)20-14-7-6-13(21-17(14)23)12-8-15(18)22-16(19)9-12/h6-10H,4-5H2,1-3H3,(H4,18,19,22).
What are the key properties of 4-(2-methyl-3-pentan-2-ylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine?
4-(2-methyl-3-pentan-2-ylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine has a molecular weight of 310.41 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-3-pentan-2-ylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine is sourced from PubChem (CID 135335983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).