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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Related Compounds

3-methoxy-5-[5-pyridin-4-yl-2-(3-pyridin-4-ylphenyl)-1H-imidazol-4-yl]pyridin-2-amine
CID 59137340
5-[2-(1H-indazol-5-yl)-5-pyridin-4-yl-1H-imidazol-4-yl]-3-methoxypyridin-2-amine
CID 59137327
4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-1H-imidazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 59137504
1-[1-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-3-methylurea
CID 66591456
(2R)-N-[(2S)-2-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propyl]-2-methoxypropanamide
CID 59137408
(2S)-N-[(2S)-1-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxypropanamide
CID 59137334
5-[5-(2-amino-4-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]-3-methoxypyridin-2-amine
CID 70970698
2-amino-5-[2-(3-fluoro-4-methoxyphenyl)-5-pyridin-4-yl-1H-imidazol-4-yl]pyridin-3-ol
CID 143864771
5-[2-(4-fluorophenyl)-5-pyridin-4-yl-1,3-thiazol-4-yl]-3-methoxypyridin-2-amine
CID 59137545
3-methoxy-5-[5-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]pyridin-2-amine
CID 66591071
4-[4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]pyridine
CID 10091882
2-amino-5-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)pyridin-3-ol
CID 59137277

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).