N-(4-fluorophenyl)-2-(methoxymethyl)-1-methyl-5-phenylimidazo[4,5-b]pyridin-6-amine

C21H19FN4O — CID 134806081

IUPACN-(4-fluorophenyl)-2-(methoxymethyl)-1-methyl-5-phenylimidazo[4,5-b]pyridin-6-amine
SMILESCOCc1nc2nc(-c3ccccc3)c(Nc3ccc(F)cc3)cc2n1C
InChIInChI=1S/C21H19FN4O/c1-26-18-12-17(23-16-10-8-15(22)9-11-16)20(14-6-4-3-5-7-14)25-21(18)24-19(26)13-27-2/h3-12,23H,13H2,1-2H3
InChIKeyKEDXEUYYDFOSFK-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.66
Rot. Bonds5

About N-(4-fluorophenyl)-2-(methoxymethyl)-1-methyl-5-phenylimidazo[4,5-b]pyridin-6-amine

N-(4-fluorophenyl)-2-(methoxymethyl)-1-methyl-5-phenylimidazo[4,5-b]pyridin-6-amine (PubChem CID 134806081) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(methoxymethyl)-1-methyl-5-phenylimidazo[4,5-b]pyridin-6-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(methoxymethyl)-1-methyl-5-phenylimidazo[4,5-b]pyridin-6-amine
PubChem CID134806081
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC NameN-(4-fluorophenyl)-2-(methoxymethyl)-1-methyl-5-phenylimidazo[4,5-b]pyridin-6-amine
SMILESCOCc1nc2nc(-c3ccccc3)c(Nc3ccc(F)cc3)cc2n1C
InChIInChI=1S/C21H19FN4O/c1-26-18-12-17(23-16-10-8-15(22)9-11-16)20(14-6-4-3-5-7-14)25-21(18)24-19(26)13-27-2/h3-12,23H,13H2,1-2H3
InChIKeyKEDXEUYYDFOSFK-UHFFFAOYSA-N
XLogP4.66
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(methoxymethyl)-1-methyl-5-phenylimidazo[4,5-b]pyridin-6-amine?
The IUPAC name of N-(4-fluorophenyl)-2-(methoxymethyl)-1-methyl-5-phenylimidazo[4,5-b]pyridin-6-amine (CID 134806081) is N-(4-fluorophenyl)-2-(methoxymethyl)-1-methyl-5-phenylimidazo[4,5-b]pyridin-6-amine.
What is the SMILES notation for N-(4-fluorophenyl)-2-(methoxymethyl)-1-methyl-5-phenylimidazo[4,5-b]pyridin-6-amine?
The canonical SMILES for N-(4-fluorophenyl)-2-(methoxymethyl)-1-methyl-5-phenylimidazo[4,5-b]pyridin-6-amine is COCc1nc2nc(-c3ccccc3)c(Nc3ccc(F)cc3)cc2n1C.
What is the InChIKey of N-(4-fluorophenyl)-2-(methoxymethyl)-1-methyl-5-phenylimidazo[4,5-b]pyridin-6-amine?
The InChIKey is KEDXEUYYDFOSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c1-26-18-12-17(23-16-10-8-15(22)9-11-16)20(14-6-4-3-5-7-14)25-21(18)24-19(26)13-27-2/h3-12,23H,13H2,1-2H3.
What are the key properties of N-(4-fluorophenyl)-2-(methoxymethyl)-1-methyl-5-phenylimidazo[4,5-b]pyridin-6-amine?
N-(4-fluorophenyl)-2-(methoxymethyl)-1-methyl-5-phenylimidazo[4,5-b]pyridin-6-amine has a molecular weight of 362.41 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(methoxymethyl)-1-methyl-5-phenylimidazo[4,5-b]pyridin-6-amine is sourced from PubChem (CID 134806081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).