3-[3-[4-(aminomethyl)phenyl]-6-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;hydrochloride

C19H19ClN6 — CID 67304551

IUPAC3-[3-[4-(aminomethyl)phenyl]-6-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;hydrochloride
SMILESCc1cnc2c(c1)nc(-c1cccnc1N)n2-c1ccc(CN)cc1.Cl
InChIInChI=1S/C19H18N6.ClH/c1-12-9-16-19(23-11-12)25(14-6-4-13(10-20)5-7-14)18(24-16)15-3-2-8-22-17(15)21;/h2-9,11H,10,20H2,1H3,(H2,21,22);1H
InChIKeyMWWLSEJIQQNGGX-UHFFFAOYSA-N
MW366.86 g/mol
LogP3.25
Rot. Bonds3

About 3-[3-[4-(aminomethyl)phenyl]-6-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;hydrochloride

3-[3-[4-(aminomethyl)phenyl]-6-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;hydrochloride (PubChem CID 67304551) has the molecular formula C19H19ClN6 and a molecular weight of 366.86 g/mol. Its IUPAC name is 3-[3-[4-(aminomethyl)phenyl]-6-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name3-[3-[4-(aminomethyl)phenyl]-6-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;hydrochloride
PubChem CID67304551
Molecular FormulaC19H19ClN6
Molecular Weight366.86 g/mol
Exact Mass366.14
IUPAC Name3-[3-[4-(aminomethyl)phenyl]-6-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;hydrochloride
SMILESCc1cnc2c(c1)nc(-c1cccnc1N)n2-c1ccc(CN)cc1.Cl
InChIInChI=1S/C19H18N6.ClH/c1-12-9-16-19(23-11-12)25(14-6-4-13(10-20)5-7-14)18(24-16)15-3-2-8-22-17(15)21;/h2-9,11H,10,20H2,1H3,(H2,21,22);1H
InChIKeyMWWLSEJIQQNGGX-UHFFFAOYSA-N
XLogP3.25
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.86
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(aminomethyl)phenyl]-6-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;hydrochloride?
The IUPAC name of 3-[3-[4-(aminomethyl)phenyl]-6-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;hydrochloride (CID 67304551) is 3-[3-[4-(aminomethyl)phenyl]-6-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;hydrochloride.
What is the SMILES notation for 3-[3-[4-(aminomethyl)phenyl]-6-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;hydrochloride?
The canonical SMILES for 3-[3-[4-(aminomethyl)phenyl]-6-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;hydrochloride is Cc1cnc2c(c1)nc(-c1cccnc1N)n2-c1ccc(CN)cc1.Cl.
What is the InChIKey of 3-[3-[4-(aminomethyl)phenyl]-6-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;hydrochloride?
The InChIKey is MWWLSEJIQQNGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6.ClH/c1-12-9-16-19(23-11-12)25(14-6-4-13(10-20)5-7-14)18(24-16)15-3-2-8-22-17(15)21;/h2-9,11H,10,20H2,1H3,(H2,21,22);1H.
What are the key properties of 3-[3-[4-(aminomethyl)phenyl]-6-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;hydrochloride?
3-[3-[4-(aminomethyl)phenyl]-6-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;hydrochloride has a molecular weight of 366.86 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(aminomethyl)phenyl]-6-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;hydrochloride is sourced from PubChem (CID 67304551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).