N-butan-2-yl-6-methyl-2-[(2,4,5-trifluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide

C20H19F3N4O2 — CID 155565914

IUPACN-butan-2-yl-6-methyl-2-[(2,4,5-trifluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1c(NC(=O)c2cc(F)c(F)cc2F)nc2ccc(C)cn12
InChIInChI=1S/C20H19F3N4O2/c1-4-11(3)24-20(29)17-18(25-16-6-5-10(2)9-27(16)17)26-19(28)12-7-14(22)15(23)8-13(12)21/h5-9,11H,4H2,1-3H3,(H,24,29)(H,26,28)
InChIKeyOIIOJKUYSGIGNI-UHFFFAOYSA-N
MW404.39 g/mol
LogP3.84
Rot. Bonds5

About N-butan-2-yl-6-methyl-2-[(2,4,5-trifluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide

N-butan-2-yl-6-methyl-2-[(2,4,5-trifluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 155565914) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is N-butan-2-yl-6-methyl-2-[(2,4,5-trifluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-6-methyl-2-[(2,4,5-trifluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID155565914
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC NameN-butan-2-yl-6-methyl-2-[(2,4,5-trifluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1c(NC(=O)c2cc(F)c(F)cc2F)nc2ccc(C)cn12
InChIInChI=1S/C20H19F3N4O2/c1-4-11(3)24-20(29)17-18(25-16-6-5-10(2)9-27(16)17)26-19(28)12-7-14(22)15(23)8-13(12)21/h5-9,11H,4H2,1-3H3,(H,24,29)(H,26,28)
InChIKeyOIIOJKUYSGIGNI-UHFFFAOYSA-N
XLogP3.84
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-methyl-2-[(2,4,5-trifluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-butan-2-yl-6-methyl-2-[(2,4,5-trifluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide (CID 155565914) is N-butan-2-yl-6-methyl-2-[(2,4,5-trifluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-6-methyl-2-[(2,4,5-trifluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-6-methyl-2-[(2,4,5-trifluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide is CCC(C)NC(=O)c1c(NC(=O)c2cc(F)c(F)cc2F)nc2ccc(C)cn12.
What is the InChIKey of N-butan-2-yl-6-methyl-2-[(2,4,5-trifluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is OIIOJKUYSGIGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c1-4-11(3)24-20(29)17-18(25-16-6-5-10(2)9-27(16)17)26-19(28)12-7-14(22)15(23)8-13(12)21/h5-9,11H,4H2,1-3H3,(H,24,29)(H,26,28).
What are the key properties of N-butan-2-yl-6-methyl-2-[(2,4,5-trifluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide?
N-butan-2-yl-6-methyl-2-[(2,4,5-trifluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 404.39 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-methyl-2-[(2,4,5-trifluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 155565914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).