5-amino-4-chloro-3-(6-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-6-(methyliminomethyl)-1H-pyridin-2-one

C14H13ClN6O2 — CID 156682976

IUPAC5-amino-4-chloro-3-(6-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-6-(methyliminomethyl)-1H-pyridin-2-one
SMILESC/N=C/c1[nH]c(=O)c(-c2nc3ncc(OC)cc3[nH]2)c(Cl)c1N
InChIInChI=1S/C14H13ClN6O2/c1-17-5-8-11(16)10(15)9(14(22)20-8)13-19-7-3-6(23-2)4-18-12(7)21-13/h3-5H,16H2,1-2H3,(H,20,22)(H,18,19,21)/b17-5+
InChIKeySRUABYGDCRXCKL-YAXRCOADSA-N
MW332.75 g/mol
LogP1.61
Rot. Bonds3

About 5-amino-4-chloro-3-(6-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-6-(methyliminomethyl)-1H-pyridin-2-one

5-amino-4-chloro-3-(6-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-6-(methyliminomethyl)-1H-pyridin-2-one (PubChem CID 156682976) has the molecular formula C14H13ClN6O2 and a molecular weight of 332.75 g/mol. Its IUPAC name is 5-amino-4-chloro-3-(6-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-6-(methyliminomethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-amino-4-chloro-3-(6-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-6-(methyliminomethyl)-1H-pyridin-2-one
PubChem CID156682976
Molecular FormulaC14H13ClN6O2
Molecular Weight332.75 g/mol
Exact Mass332.08
IUPAC Name5-amino-4-chloro-3-(6-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-6-(methyliminomethyl)-1H-pyridin-2-one
SMILESC/N=C/c1[nH]c(=O)c(-c2nc3ncc(OC)cc3[nH]2)c(Cl)c1N
InChIInChI=1S/C14H13ClN6O2/c1-17-5-8-11(16)10(15)9(14(22)20-8)13-19-7-3-6(23-2)4-18-12(7)21-13/h3-5H,16H2,1-2H3,(H,20,22)(H,18,19,21)/b17-5+
InChIKeySRUABYGDCRXCKL-YAXRCOADSA-N
XLogP1.61
TPSA122.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.75
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-chloro-3-(6-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-6-(methyliminomethyl)-1H-pyridin-2-one?
The IUPAC name of 5-amino-4-chloro-3-(6-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-6-(methyliminomethyl)-1H-pyridin-2-one (CID 156682976) is 5-amino-4-chloro-3-(6-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-6-(methyliminomethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-amino-4-chloro-3-(6-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-6-(methyliminomethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-amino-4-chloro-3-(6-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-6-(methyliminomethyl)-1H-pyridin-2-one is C/N=C/c1[nH]c(=O)c(-c2nc3ncc(OC)cc3[nH]2)c(Cl)c1N.
What is the InChIKey of 5-amino-4-chloro-3-(6-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-6-(methyliminomethyl)-1H-pyridin-2-one?
The InChIKey is SRUABYGDCRXCKL-YAXRCOADSA-N. The full InChI is InChI=1S/C14H13ClN6O2/c1-17-5-8-11(16)10(15)9(14(22)20-8)13-19-7-3-6(23-2)4-18-12(7)21-13/h3-5H,16H2,1-2H3,(H,20,22)(H,18,19,21)/b17-5+.
What are the key properties of 5-amino-4-chloro-3-(6-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-6-(methyliminomethyl)-1H-pyridin-2-one?
5-amino-4-chloro-3-(6-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-6-(methyliminomethyl)-1H-pyridin-2-one has a molecular weight of 332.75 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-chloro-3-(6-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-6-(methyliminomethyl)-1H-pyridin-2-one is sourced from PubChem (CID 156682976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).