5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-3-methoxypyridin-2-amine

C18H21N5O — CID 59137482

IUPAC5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-3-methoxypyridin-2-amine
SMILESCOc1cc(-c2nc(C(C)(C)C)[nH]c2-c2ccncc2)cnc1N
InChIInChI=1S/C18H21N5O/c1-18(2,3)17-22-14(11-5-7-20-8-6-11)15(23-17)12-9-13(24-4)16(19)21-10-12/h5-10H,1-4H3,(H2,19,21)(H,22,23)
InChIKeyPZYFVGPLPCHSCP-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.42
Rot. Bonds3

About 5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-3-methoxypyridin-2-amine

5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-3-methoxypyridin-2-amine (PubChem CID 59137482) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-3-methoxypyridin-2-amine.

Molecular Properties

Compound Name5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-3-methoxypyridin-2-amine
PubChem CID59137482
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-3-methoxypyridin-2-amine
SMILESCOc1cc(-c2nc(C(C)(C)C)[nH]c2-c2ccncc2)cnc1N
InChIInChI=1S/C18H21N5O/c1-18(2,3)17-22-14(11-5-7-20-8-6-11)15(23-17)12-9-13(24-4)16(19)21-10-12/h5-10H,1-4H3,(H2,19,21)(H,22,23)
InChIKeyPZYFVGPLPCHSCP-UHFFFAOYSA-N
XLogP3.42
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-3-methoxypyridin-2-amine?
The IUPAC name of 5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-3-methoxypyridin-2-amine (CID 59137482) is 5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-3-methoxypyridin-2-amine.
What is the SMILES notation for 5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-3-methoxypyridin-2-amine?
The canonical SMILES for 5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-3-methoxypyridin-2-amine is COc1cc(-c2nc(C(C)(C)C)[nH]c2-c2ccncc2)cnc1N.
What is the InChIKey of 5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-3-methoxypyridin-2-amine?
The InChIKey is PZYFVGPLPCHSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-18(2,3)17-22-14(11-5-7-20-8-6-11)15(23-17)12-9-13(24-4)16(19)21-10-12/h5-10H,1-4H3,(H2,19,21)(H,22,23).
What are the key properties of 5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-3-methoxypyridin-2-amine?
5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-3-methoxypyridin-2-amine has a molecular weight of 323.40 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-3-methoxypyridin-2-amine is sourced from PubChem (CID 59137482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).