4-[3-[(4-chloro-2-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

C20H19ClN6O — CID 135335843

IUPAC4-[3-[(4-chloro-2-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
SMILESCOc1cc(Cl)ccc1Cn1c(C)nc2ccc(-c3cc(N)nc(N)c3)nc21
InChIInChI=1S/C20H19ClN6O/c1-11-24-16-6-5-15(13-7-18(22)26-19(23)8-13)25-20(16)27(11)10-12-3-4-14(21)9-17(12)28-2/h3-9H,10H2,1-2H3,(H4,22,23,26)
InChIKeyBYDRSBTVIQNYTH-UHFFFAOYSA-N
MW394.87 g/mol
LogP3.68
Rot. Bonds4

About 4-[3-[(4-chloro-2-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

4-[3-[(4-chloro-2-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine (PubChem CID 135335843) has the molecular formula C20H19ClN6O and a molecular weight of 394.87 g/mol. Its IUPAC name is 4-[3-[(4-chloro-2-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine.

Molecular Properties

Compound Name4-[3-[(4-chloro-2-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
PubChem CID135335843
Molecular FormulaC20H19ClN6O
Molecular Weight394.87 g/mol
Exact Mass394.13
IUPAC Name4-[3-[(4-chloro-2-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
SMILESCOc1cc(Cl)ccc1Cn1c(C)nc2ccc(-c3cc(N)nc(N)c3)nc21
InChIInChI=1S/C20H19ClN6O/c1-11-24-16-6-5-15(13-7-18(22)26-19(23)8-13)25-20(16)27(11)10-12-3-4-14(21)9-17(12)28-2/h3-9H,10H2,1-2H3,(H4,22,23,26)
InChIKeyBYDRSBTVIQNYTH-UHFFFAOYSA-N
XLogP3.68
TPSA104.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.87
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-chloro-2-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The IUPAC name of 4-[3-[(4-chloro-2-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine (CID 135335843) is 4-[3-[(4-chloro-2-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine.
What is the SMILES notation for 4-[3-[(4-chloro-2-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The canonical SMILES for 4-[3-[(4-chloro-2-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine is COc1cc(Cl)ccc1Cn1c(C)nc2ccc(-c3cc(N)nc(N)c3)nc21.
What is the InChIKey of 4-[3-[(4-chloro-2-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The InChIKey is BYDRSBTVIQNYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O/c1-11-24-16-6-5-15(13-7-18(22)26-19(23)8-13)25-20(16)27(11)10-12-3-4-14(21)9-17(12)28-2/h3-9H,10H2,1-2H3,(H4,22,23,26).
What are the key properties of 4-[3-[(4-chloro-2-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
4-[3-[(4-chloro-2-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine has a molecular weight of 394.87 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-chloro-2-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine is sourced from PubChem (CID 135335843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).