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

C21H22N6 — CID 135283877

IUPAC4-[2-methyl-3-[2-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
SMILESCc1ccccc1CCn1c(C)nc2ccc(-c3cc(N)nc(N)c3)nc21
InChIInChI=1S/C21H22N6/c1-13-5-3-4-6-15(13)9-10-27-14(2)24-18-8-7-17(25-21(18)27)16-11-19(22)26-20(23)12-16/h3-8,11-12H,9-10H2,1-2H3,(H4,22,23,26)
InChIKeyHZJUCMPUISEGMH-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.52
Rot. Bonds4

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

4-[2-methyl-3-[2-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine (PubChem CID 135283877) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is 4-[2-methyl-3-[2-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine.

Molecular Properties

Compound Name4-[2-methyl-3-[2-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
PubChem CID135283877
Molecular FormulaC21H22N6
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC Name4-[2-methyl-3-[2-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
SMILESCc1ccccc1CCn1c(C)nc2ccc(-c3cc(N)nc(N)c3)nc21
InChIInChI=1S/C21H22N6/c1-13-5-3-4-6-15(13)9-10-27-14(2)24-18-8-7-17(25-21(18)27)16-11-19(22)26-20(23)12-16/h3-8,11-12H,9-10H2,1-2H3,(H4,22,23,26)
InChIKeyHZJUCMPUISEGMH-UHFFFAOYSA-N
XLogP3.52
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.52
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-[2-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The IUPAC name of 4-[2-methyl-3-[2-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine (CID 135283877) is 4-[2-methyl-3-[2-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine.
What is the SMILES notation for 4-[2-methyl-3-[2-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The canonical SMILES for 4-[2-methyl-3-[2-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine is Cc1ccccc1CCn1c(C)nc2ccc(-c3cc(N)nc(N)c3)nc21.
What is the InChIKey of 4-[2-methyl-3-[2-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The InChIKey is HZJUCMPUISEGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6/c1-13-5-3-4-6-15(13)9-10-27-14(2)24-18-8-7-17(25-21(18)27)16-11-19(22)26-20(23)12-16/h3-8,11-12H,9-10H2,1-2H3,(H4,22,23,26).
What are the key properties of 4-[2-methyl-3-[2-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
4-[2-methyl-3-[2-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine has a molecular weight of 358.45 g/mol, XLogP of 3.52, 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-[2-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine is sourced from PubChem (CID 135283877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).