1-[4-amino-6-ethenyl-7-methyl-2-(4,4,4-trifluoro-3-methylbutyl)imidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol

C18H25F3N4O — CID 166510857

IUPAC1-[4-amino-6-ethenyl-7-methyl-2-(4,4,4-trifluoro-3-methylbutyl)imidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol
SMILESC=Cc1nc(N)c2nc(CCC(C)C(F)(F)F)n(CC(C)(C)O)c2c1C
InChIInChI=1S/C18H25F3N4O/c1-6-12-11(3)15-14(16(22)23-12)24-13(25(15)9-17(4,5)26)8-7-10(2)18(19,20)21/h6,10,26H,1,7-9H2,2-5H3,(H2,22,23)
InChIKeyWDGQEGRLZYZHBP-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.87
Rot. Bonds6

About 1-[4-amino-6-ethenyl-7-methyl-2-(4,4,4-trifluoro-3-methylbutyl)imidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol

1-[4-amino-6-ethenyl-7-methyl-2-(4,4,4-trifluoro-3-methylbutyl)imidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol (PubChem CID 166510857) has the molecular formula C18H25F3N4O and a molecular weight of 370.42 g/mol. Its IUPAC name is 1-[4-amino-6-ethenyl-7-methyl-2-(4,4,4-trifluoro-3-methylbutyl)imidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-amino-6-ethenyl-7-methyl-2-(4,4,4-trifluoro-3-methylbutyl)imidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol
PubChem CID166510857
Molecular FormulaC18H25F3N4O
Molecular Weight370.42 g/mol
Exact Mass370.20
IUPAC Name1-[4-amino-6-ethenyl-7-methyl-2-(4,4,4-trifluoro-3-methylbutyl)imidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol
SMILESC=Cc1nc(N)c2nc(CCC(C)C(F)(F)F)n(CC(C)(C)O)c2c1C
InChIInChI=1S/C18H25F3N4O/c1-6-12-11(3)15-14(16(22)23-12)24-13(25(15)9-17(4,5)26)8-7-10(2)18(19,20)21/h6,10,26H,1,7-9H2,2-5H3,(H2,22,23)
InChIKeyWDGQEGRLZYZHBP-UHFFFAOYSA-N
XLogP3.87
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-6-ethenyl-7-methyl-2-(4,4,4-trifluoro-3-methylbutyl)imidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-amino-6-ethenyl-7-methyl-2-(4,4,4-trifluoro-3-methylbutyl)imidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol (CID 166510857) is 1-[4-amino-6-ethenyl-7-methyl-2-(4,4,4-trifluoro-3-methylbutyl)imidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-amino-6-ethenyl-7-methyl-2-(4,4,4-trifluoro-3-methylbutyl)imidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-amino-6-ethenyl-7-methyl-2-(4,4,4-trifluoro-3-methylbutyl)imidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol is C=Cc1nc(N)c2nc(CCC(C)C(F)(F)F)n(CC(C)(C)O)c2c1C.
What is the InChIKey of 1-[4-amino-6-ethenyl-7-methyl-2-(4,4,4-trifluoro-3-methylbutyl)imidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol?
The InChIKey is WDGQEGRLZYZHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N4O/c1-6-12-11(3)15-14(16(22)23-12)24-13(25(15)9-17(4,5)26)8-7-10(2)18(19,20)21/h6,10,26H,1,7-9H2,2-5H3,(H2,22,23).
What are the key properties of 1-[4-amino-6-ethenyl-7-methyl-2-(4,4,4-trifluoro-3-methylbutyl)imidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol?
1-[4-amino-6-ethenyl-7-methyl-2-(4,4,4-trifluoro-3-methylbutyl)imidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol has a molecular weight of 370.42 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-6-ethenyl-7-methyl-2-(4,4,4-trifluoro-3-methylbutyl)imidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 166510857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).