N-(3-fluoro-4-methylphenyl)-5-methoxy-2H-imidazo[4,5-b]pyridin-6-amine

C14H13FN4O — CID 158196399

IUPACN-(3-fluoro-4-methylphenyl)-5-methoxy-2H-imidazo[4,5-b]pyridin-6-amine
SMILESCOc1nc2c(cc1Nc1ccc(C)c(F)c1)=NCN=2
InChIInChI=1S/C14H13FN4O/c1-8-3-4-9(5-10(8)15)18-12-6-11-13(17-7-16-11)19-14(12)20-2/h3-6,18H,7H2,1-2H3
InChIKeyPGSLMDPWIMPKBW-UHFFFAOYSA-N
MW272.28 g/mol
LogP1.49
Rot. Bonds3

About N-(3-fluoro-4-methylphenyl)-5-methoxy-2H-imidazo[4,5-b]pyridin-6-amine

N-(3-fluoro-4-methylphenyl)-5-methoxy-2H-imidazo[4,5-b]pyridin-6-amine (PubChem CID 158196399) has the molecular formula C14H13FN4O and a molecular weight of 272.28 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-5-methoxy-2H-imidazo[4,5-b]pyridin-6-amine.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-5-methoxy-2H-imidazo[4,5-b]pyridin-6-amine
PubChem CID158196399
Molecular FormulaC14H13FN4O
Molecular Weight272.28 g/mol
Exact Mass272.11
IUPAC NameN-(3-fluoro-4-methylphenyl)-5-methoxy-2H-imidazo[4,5-b]pyridin-6-amine
SMILESCOc1nc2c(cc1Nc1ccc(C)c(F)c1)=NCN=2
InChIInChI=1S/C14H13FN4O/c1-8-3-4-9(5-10(8)15)18-12-6-11-13(17-7-16-11)19-14(12)20-2/h3-6,18H,7H2,1-2H3
InChIKeyPGSLMDPWIMPKBW-UHFFFAOYSA-N
XLogP1.49
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-5-methoxy-2H-imidazo[4,5-b]pyridin-6-amine?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-5-methoxy-2H-imidazo[4,5-b]pyridin-6-amine (CID 158196399) is N-(3-fluoro-4-methylphenyl)-5-methoxy-2H-imidazo[4,5-b]pyridin-6-amine.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-5-methoxy-2H-imidazo[4,5-b]pyridin-6-amine?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-5-methoxy-2H-imidazo[4,5-b]pyridin-6-amine is COc1nc2c(cc1Nc1ccc(C)c(F)c1)=NCN=2.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-5-methoxy-2H-imidazo[4,5-b]pyridin-6-amine?
The InChIKey is PGSLMDPWIMPKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O/c1-8-3-4-9(5-10(8)15)18-12-6-11-13(17-7-16-11)19-14(12)20-2/h3-6,18H,7H2,1-2H3.
What are the key properties of N-(3-fluoro-4-methylphenyl)-5-methoxy-2H-imidazo[4,5-b]pyridin-6-amine?
N-(3-fluoro-4-methylphenyl)-5-methoxy-2H-imidazo[4,5-b]pyridin-6-amine has a molecular weight of 272.28 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-5-methoxy-2H-imidazo[4,5-b]pyridin-6-amine is sourced from PubChem (CID 158196399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).